3-(aminomethyl)-4-chloro-N-pyridin-2-ylbenzenesulfonamide

C12H12ClN3O2S — CID 106082593

IUPAC3-(aminomethyl)-4-chloro-N-pyridin-2-ylbenzenesulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2ccccn2)ccc1Cl
InChIInChI=1S/C12H12ClN3O2S/c13-11-5-4-10(7-9(11)8-14)19(17,18)16-12-3-1-2-6-15-12/h1-7H,8,14H2,(H,15,16)
InChIKeyGJTAHPZKPOLCNR-UHFFFAOYSA-N
MW297.77 g/mol
LogP1.99
Rot. Bonds4

About 3-(aminomethyl)-4-chloro-N-pyridin-2-ylbenzenesulfonamide

3-(aminomethyl)-4-chloro-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 106082593) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 3-(aminomethyl)-4-chloro-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-chloro-N-pyridin-2-ylbenzenesulfonamide
PubChem CID106082593
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name3-(aminomethyl)-4-chloro-N-pyridin-2-ylbenzenesulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2ccccn2)ccc1Cl
InChIInChI=1S/C12H12ClN3O2S/c13-11-5-4-10(7-9(11)8-14)19(17,18)16-12-3-1-2-6-15-12/h1-7H,8,14H2,(H,15,16)
InChIKeyGJTAHPZKPOLCNR-UHFFFAOYSA-N
XLogP1.99
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide
CID 674105
3-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 106070860
4-chloro-3-pentoxy-N-pyridin-2-ylbenzenesulfonamide
CID 35203130
4-ethyl-3-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082502
5-(aminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide
CID 106082397
4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
CID 68756822
2-chloro-N-pyridin-2-ylquinoline-6-sulfonamide
CID 43456606
4-amino-N-pyridin-2-ylbenzenesulfonamide;molecular nitrogen
CID 174728998
3,4-dichloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078174
3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide
CID 106073917
4-(aminomethyl)-N-(3-bromo-2-pyridinyl)-3-chlorobenzenesulfonamide
CID 106062257
5-chloro-6-(ethylamino)-N-pyridin-2-ylpyridine-3-sulfonamide
CID 64607180

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-chloro-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-chloro-N-pyridin-2-ylbenzenesulfonamide (CID 106082593) is 3-(aminomethyl)-4-chloro-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-chloro-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-chloro-N-pyridin-2-ylbenzenesulfonamide is NCc1cc(S(=O)(=O)Nc2ccccn2)ccc1Cl.
What is the InChIKey of 3-(aminomethyl)-4-chloro-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is GJTAHPZKPOLCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c13-11-5-4-10(7-9(11)8-14)19(17,18)16-12-3-1-2-6-15-12/h1-7H,8,14H2,(H,15,16).
What are the key properties of 3-(aminomethyl)-4-chloro-N-pyridin-2-ylbenzenesulfonamide?
3-(aminomethyl)-4-chloro-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 297.77 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-chloro-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 106082593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).