| CAS Number | 952931-09-8 |
| Catalog Number | AG01AAJZ |
| Chemical Name | N-propyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide |
| IUPAC Name | N-propyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide |
| InChI | InChI=1S/C12H18N2O2S/c1-2-7-14-17(15,16)11-5-6-12-10(9-11)4-3-8-13-12/h5-6,9,13-14H,2-4,7-8H2,1H3 |
| InChI Key | ZFXQLPZLRZAWJO-UHFFFAOYSA-N |
| MDL Number | MFCD11189656 |
| Molecular Formula | C12H18N2O2S |
| Molecular Weight | 254.3485 |
| SMILES | CCCNS(C1=CC2=C(NCCC2)C=C1)(=O)=O |
| Synonyms | N-propyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide,
952931-09-8,
AC1Q2Y65,
6-Quinolinesulfonamide, 1,2,3,4-tetrahydro-N-propyl-,
SCHEMBL15711293,
ZINC20130483,
AKOS005882764,
MCULE-9889963789,
NE22866,
EN300-68827,
Z1263602473,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.348g/mol |
| Monoisotopic Mass | 254.109g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number