5-amino-N-(4-chloro-3-pyridinyl)-2-methylbenzenesulfonamide

C12H12ClN3O2S — CID 83165893

IUPAC5-amino-N-(4-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)Nc1cnccc1Cl
InChIInChI=1S/C12H12ClN3O2S/c1-8-2-3-9(14)6-12(8)19(17,18)16-11-7-15-5-4-10(11)13/h2-7,16H,14H2,1H3
InChIKeyAUGTXJFWAMQNCK-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.43
Rot. Bonds3

About 5-amino-N-(4-chloro-3-pyridinyl)-2-methylbenzenesulfonamide

5-amino-N-(4-chloro-3-pyridinyl)-2-methylbenzenesulfonamide (PubChem CID 83165893) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 5-amino-N-(4-chloro-3-pyridinyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
PubChem CID83165893
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name5-amino-N-(4-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)Nc1cnccc1Cl
InChIInChI=1S/C12H12ClN3O2S/c1-8-2-3-9(14)6-12(8)19(17,18)16-11-7-15-5-4-10(11)13/h2-7,16H,14H2,1H3
InChIKeyAUGTXJFWAMQNCK-UHFFFAOYSA-N
XLogP2.43
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83165562
5-amino-2-chloro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667966
N-(4-chloro-3-pyridinyl)-3,5-dimethylbenzenesulfonamide
CID 114051868
5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 28537891
N-(4-chloro-3-pyridinyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 83167318
5-amino-2-chloro-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 83166065
4-amino-2-fluoro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201311
2-amino-N-(4-chloro-3-pyridinyl)pyridine-3-sulfonamide
CID 83164863
3-amino-2-bromo-5-chloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83166228
5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide
CID 28893400
5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 28528922
2,5-dichloro-N-(4-chloro-3-pyridinyl)thiophene-3-sulfonamide
CID 114051881

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-chloro-3-pyridinyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(4-chloro-3-pyridinyl)-2-methylbenzenesulfonamide (CID 83165893) is 5-amino-N-(4-chloro-3-pyridinyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(4-chloro-3-pyridinyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(4-chloro-3-pyridinyl)-2-methylbenzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)Nc1cnccc1Cl.
What is the InChIKey of 5-amino-N-(4-chloro-3-pyridinyl)-2-methylbenzenesulfonamide?
The InChIKey is AUGTXJFWAMQNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-8-2-3-9(14)6-12(8)19(17,18)16-11-7-15-5-4-10(11)13/h2-7,16H,14H2,1H3.
What are the key properties of 5-amino-N-(4-chloro-3-pyridinyl)-2-methylbenzenesulfonamide?
5-amino-N-(4-chloro-3-pyridinyl)-2-methylbenzenesulfonamide has a molecular weight of 297.77 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-chloro-3-pyridinyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 83165893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).