| CAS Number | 878218-25-8 |
| Catalog Number | AG00IESH(AGN-PC-0WOJSJ) |
| Chemical Name | 1-(4-cyanophenyl)-N-isopropylmethanesulfonamide |
| IUPAC Name | 1-(4-cyanophenyl)-N-propan-2-ylmethanesulfonamide |
| InChI | InChI=1S/C11H14N2O2S/c1-9(2)13-16(14,15)8-11-5-3-10(7-12)4-6-11/h3-6,9,13H,8H2,1-2H3 |
| InChI Key | JPGWZGPXJCIUHP-UHFFFAOYSA-N |
| MDL Number | MFCD08239623 |
| Molecular Formula | C11H14N2O2S |
| Molecular Weight | 238.3061 |
| SMILES | CC(NS(CC1=CC=C(C#N)C=C1)(=O)=O)C |
| Synonyms | 1-(4-cyanophenyl)-N-isopropylmethanesulfonamide,
878218-25-8,
(4-cyanophenyl)-N-(propan-2-yl)methanesulfonamide,
1-(4-cyanophenyl)-N-(propan-2-yl)methanesulfonamide,
AC1PMHKV,
AC1Q1QDW,
SCHEMBL16000123,
CTK6B0359,
HMS1779L03,
ZINC8037224,
AKOS009084254,
MCULE-3754800531,
NE59646,
AM101457,
W2842,
EN300-24122,
1-(4-cyanophenyl)-N-propan-2-ylmethanesulfonamide,
Z165164092,
C11H14N2O2S,
ZINC08037224,
CID9167352,
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| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.305g/mol |
| Monoisotopic Mass | 238.078g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number