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

C12H12ClN3O2S — CID 28893400

IUPAC5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H12ClN3O2S/c1-8-2-4-10(14)6-11(8)19(17,18)16-12-5-3-9(13)7-15-12/h2-7H,14H2,1H3,(H,15,16)
InChIKeyIQLHXNVZBQJBDJ-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.43
Rot. Bonds3

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

5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide (PubChem CID 28893400) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide
PubChem CID28893400
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H12ClN3O2S/c1-8-2-4-10(14)6-11(8)19(17,18)16-12-5-3-9(13)7-15-12/h2-7H,14H2,1H3,(H,15,16)
InChIKeyIQLHXNVZBQJBDJ-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

N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 8523459
N-(5-amino-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 43144676
5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 29276222
5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 28537891
4-amino-N-(5-chloro-2-pyridinyl)-2-nitrobenzenesulfonamide
CID 62144754
2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide
CID 80707848
5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 65481643
4-amino-2,6-dichloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 43258680
N-(5-chloro-2-pyridinyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 653931
N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113033426
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 79733311
N-(5-chloro-2-pyridinyl)-2-ethoxy-4,5-dimethylbenzenesulfonamide
CID 6473352

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide (CID 28893400) is 5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide?
The InChIKey is IQLHXNVZBQJBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-8-2-4-10(14)6-11(8)19(17,18)16-12-5-3-9(13)7-15-12/h2-7H,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide?
5-amino-N-(5-chloro-2-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-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 28893400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).