| CAS Number | 827621-53-4 |
| Catalog Number | AG01EH8M(AGN-PC-0WOJFG) |
| Chemical Name | 1-(2-chlorophenyl)-N-isopropylmethanesulfonamide |
| IUPAC Name | 1-(2-chlorophenyl)-N-propan-2-ylmethanesulfonamide |
| InChI | InChI=1S/C10H14ClNO2S/c1-8(2)12-15(13,14)7-9-5-3-4-6-10(9)11/h3-6,8,12H,7H2,1-2H3 |
| InChI Key | DTDZGQRSYUNONS-UHFFFAOYSA-N |
| MDL Number | MFCD06634218 |
| Molecular Formula | C10H14ClNO2S |
| Molecular Weight | 247.7417 |
| SMILES | CC(NS(=O)(=O)Cc1ccccc1Cl)C |
| Synonyms | 1-(2-chlorophenyl)-N-isopropylmethanesulfonamide,
827621-53-4,
1-(2-chlorophenyl)-N-(propan-2-yl)methanesulfonamide,
AC1MGMJL,
SCHEMBL16000120,
ZINC4740642,
STK204716,
AKOS003345310,
MCULE-1572987765,
AM101323,
ST50668271,
(2-chlorophenyl)-N-isopropylmethanesulfonamide,
SR-01000302880,
1-(2-chlorophenyl)-N-propan-2-ylmethanesulfonamide,
SR-01000302880-1,
{[(2-chlorophenyl)methyl]sulfonyl}(methylethyl)amine,
ZINC04740642,
CID2988396,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.737g/mol |
| Monoisotopic Mass | 247.043g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number