3-(aminomethyl)-5-chloro-2-methyl-N-pyridin-3-ylbenzenesulfonamide

C13H14ClN3O2S — CID 106033836

IUPAC3-(aminomethyl)-5-chloro-2-methyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCc1c(CN)cc(Cl)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C13H14ClN3O2S/c1-9-10(7-15)5-11(14)6-13(9)20(18,19)17-12-3-2-4-16-8-12/h2-6,8,17H,7,15H2,1H3
InChIKeyVPHPSCFRRASAFZ-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.30
Rot. Bonds4

About 3-(aminomethyl)-5-chloro-2-methyl-N-pyridin-3-ylbenzenesulfonamide

3-(aminomethyl)-5-chloro-2-methyl-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 106033836) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 3-(aminomethyl)-5-chloro-2-methyl-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-chloro-2-methyl-N-pyridin-3-ylbenzenesulfonamide
PubChem CID106033836
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name3-(aminomethyl)-5-chloro-2-methyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCc1c(CN)cc(Cl)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C13H14ClN3O2S/c1-9-10(7-15)5-11(14)6-13(9)20(18,19)17-12-3-2-4-16-8-12/h2-6,8,17H,7,15H2,1H3
InChIKeyVPHPSCFRRASAFZ-UHFFFAOYSA-N
XLogP2.30
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033207
3-amino-5-chloro-2-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 103050184
3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 79889308
3-(aminomethyl)-5-chloro-N-(2-iodophenyl)-2-methylbenzenesulfonamide
CID 106030300
3-(aminomethyl)-N-(5-bromo-2-pyridinyl)-5-chloro-2-methylbenzenesulfonamide
CID 106020875
3,5-dichloro-N-pyridin-3-ylbenzenesulfonamide
CID 3269893
5-chloro-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 9267841
3-(aminomethyl)-5-chloro-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 106065535
3-fluoro-4-methyl-5-(pyridin-3-ylsulfamoyl)benzoic acid
CID 43510389
3-(aminomethyl)-2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030751
2-(chloromethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 114264309
3-(aminomethyl)-5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide
CID 106089839

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-chloro-2-methyl-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-5-chloro-2-methyl-N-pyridin-3-ylbenzenesulfonamide (CID 106033836) is 3-(aminomethyl)-5-chloro-2-methyl-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-chloro-2-methyl-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-chloro-2-methyl-N-pyridin-3-ylbenzenesulfonamide is Cc1c(CN)cc(Cl)cc1S(=O)(=O)Nc1cccnc1.
What is the InChIKey of 3-(aminomethyl)-5-chloro-2-methyl-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is VPHPSCFRRASAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-9-10(7-15)5-11(14)6-13(9)20(18,19)17-12-3-2-4-16-8-12/h2-6,8,17H,7,15H2,1H3.
What are the key properties of 3-(aminomethyl)-5-chloro-2-methyl-N-pyridin-3-ylbenzenesulfonamide?
3-(aminomethyl)-5-chloro-2-methyl-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-chloro-2-methyl-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 106033836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).