| CAS Number | 622797-98-2 |
| Catalog Number | AG019K51(AGN-PC-0WOU1V) |
| Chemical Name | N-tert-butyl-6-chloropyridine-3-sulfonamide |
| IUPAC Name | N-tert-butyl-6-chloropyridine-3-sulfonamide |
| InChI | InChI=1S/C9H13ClN2O2S/c1-9(2,3)12-15(13,14)7-4-5-8(10)11-6-7/h4-6,12H,1-3H3 |
| InChI Key | IMOXXBWDLRALIO-UHFFFAOYSA-N |
| MDL Number | MFCD06292983 |
| Molecular Formula | C9H13ClN2O2S |
| Molecular Weight | 248.7297 |
| SMILES | O=S(C1=CC=C(Cl)N=C1)(NC(C)(C)C)=O |
| Synonyms | N-tert-butyl-6-chloropyridine-3-sulfonamide,
622797-98-2,
N-(tert-butyl)-6-chloropyridine-3-sulfonamide,
AC1NGTUA,
AC1Q1MOX,
SCHEMBL2566837,
CTK6H1488,
IMOXXBWDLRALIO-UHFFFAOYSA-N,
ZINC5120550,
AKOS000200815,
MCULE-5286312679,
NE38103,
DA-41927,
N-tertbutyl-6-chloropyridine-3-sulfonamide,
FT-0727297,
EN300-25550,
3-Pyridinesulfonamide, 6-chloro-N-(1,1-dimethylethyl)-,
ZINC05120550,
CID4729821,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.725g/mol |
| Monoisotopic Mass | 248.039g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number