6-amino-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide

C12H12ClN3O2S — CID 62162273

IUPAC6-amino-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C12H12ClN3O2S/c13-10-3-1-9(2-4-10)7-16-19(17,18)11-5-6-12(14)15-8-11/h1-6,8,16H,7H2,(H2,14,15)
InChIKeyBHIROHWVXIVKAV-UHFFFAOYSA-N
MW297.77 g/mol
LogP1.80
Rot. Bonds4

About 6-amino-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide

6-amino-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide (PubChem CID 62162273) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 6-amino-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
PubChem CID62162273
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name6-amino-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C12H12ClN3O2S/c13-10-3-1-9(2-4-10)7-16-19(17,18)11-5-6-12(14)15-8-11/h1-6,8,16H,7H2,(H2,14,15)
InChIKeyBHIROHWVXIVKAV-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 826869
5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 64623963
N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide
CID 81089757
5-(4-chlorophenyl)sulfonylpyridin-2-amine
CID 117032151
N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide
CID 5000374
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
4-[[(4-chlorophenyl)sulfonylamino]methyl]benzenecarbothioamide
CID 62312387
6-(aminomethyl)-N-[(4-fluorophenyl)methyl]pyridine-3-sulfonamide
CID 114613015
6-amino-5-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-sulfonamide
CID 64602447
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
N-[(4-chlorophenyl)methyl]-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958766
4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide
CID 43453946

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide (CID 62162273) is 6-amino-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide is Nc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cn1.
What is the InChIKey of 6-amino-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide?
The InChIKey is BHIROHWVXIVKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c13-10-3-1-9(2-4-10)7-16-19(17,18)11-5-6-12(14)15-8-11/h1-6,8,16H,7H2,(H2,14,15).
What are the key properties of 6-amino-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide?
6-amino-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide has a molecular weight of 297.77 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 62162273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).