5-(aminomethyl)-N-(2-chloro-5-methylphenyl)pyridine-2-sulfonamide

C13H14ClN3O2S — CID 106087649

IUPAC5-(aminomethyl)-N-(2-chloro-5-methylphenyl)pyridine-2-sulfonamide
SMILESCc1ccc(Cl)c(NS(=O)(=O)c2ccc(CN)cn2)c1
InChIInChI=1S/C13H14ClN3O2S/c1-9-2-4-11(14)12(6-9)17-20(18,19)13-5-3-10(7-15)8-16-13/h2-6,8,17H,7,15H2,1H3
InChIKeyBBUCQNHYGPPWGQ-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.30
Rot. Bonds4

About 5-(aminomethyl)-N-(2-chloro-5-methylphenyl)pyridine-2-sulfonamide

5-(aminomethyl)-N-(2-chloro-5-methylphenyl)pyridine-2-sulfonamide (PubChem CID 106087649) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-chloro-5-methylphenyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-chloro-5-methylphenyl)pyridine-2-sulfonamide
PubChem CID106087649
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name5-(aminomethyl)-N-(2-chloro-5-methylphenyl)pyridine-2-sulfonamide
SMILESCc1ccc(Cl)c(NS(=O)(=O)c2ccc(CN)cn2)c1
InChIInChI=1S/C13H14ClN3O2S/c1-9-2-4-11(14)12(6-9)17-20(18,19)13-5-3-10(7-15)8-16-13/h2-6,8,17H,7,15H2,1H3
InChIKeyBBUCQNHYGPPWGQ-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

N-(2-chloro-5-methylphenyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106087639
5-(aminomethyl)-N-(2,4,5-trichlorophenyl)pyridine-2-sulfonamide
CID 106057739
5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)pyridine-2-sulfonamide
CID 106002333
N-(2-chloro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 107626553
5-(aminomethyl)-N-(2-chloro-6-fluorophenyl)pyridine-2-sulfonamide
CID 106083674
6-amino-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide
CID 107624515
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)pyridine-2-sulfonamide
CID 106070858
5-(aminomethyl)-N-(2-bromo-5-fluorophenyl)pyridine-2-sulfonamide
CID 106087539
5-(aminomethyl)-N-(5-bromo-2,4-difluorophenyl)pyridine-2-sulfonamide
CID 106087059
1-chloro-4-methyl-2-(sulfamoylamino)benzene
CID 107638348
1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide
CID 107629601
5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide
CID 107625055

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-chloro-5-methylphenyl)pyridine-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-chloro-5-methylphenyl)pyridine-2-sulfonamide (CID 106087649) is 5-(aminomethyl)-N-(2-chloro-5-methylphenyl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-chloro-5-methylphenyl)pyridine-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-chloro-5-methylphenyl)pyridine-2-sulfonamide is Cc1ccc(Cl)c(NS(=O)(=O)c2ccc(CN)cn2)c1.
What is the InChIKey of 5-(aminomethyl)-N-(2-chloro-5-methylphenyl)pyridine-2-sulfonamide?
The InChIKey is BBUCQNHYGPPWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-9-2-4-11(14)12(6-9)17-20(18,19)13-5-3-10(7-15)8-16-13/h2-6,8,17H,7,15H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(2-chloro-5-methylphenyl)pyridine-2-sulfonamide?
5-(aminomethyl)-N-(2-chloro-5-methylphenyl)pyridine-2-sulfonamide 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 5-(aminomethyl)-N-(2-chloro-5-methylphenyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106087649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).