5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide

C12H12ClN3O2S — CID 29276222

IUPAC5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(N)ccc2Cl)nc1
InChIInChI=1S/C12H12ClN3O2S/c1-8-2-5-12(15-7-8)16-19(17,18)11-6-9(14)3-4-10(11)13/h2-7H,14H2,1H3,(H,15,16)
InChIKeyQYAJBBOEZLWTFT-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.43
Rot. Bonds3

About 5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide

5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 29276222) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID29276222
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(N)ccc2Cl)nc1
InChIInChI=1S/C12H12ClN3O2S/c1-8-2-5-12(15-7-8)16-19(17,18)11-6-9(14)3-4-10(11)13/h2-7H,14H2,1H3,(H,15,16)
InChIKeyQYAJBBOEZLWTFT-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

2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 80704923
2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 25035216
5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide
CID 28893400
2,3-dichloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 9330124
5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 28528922
N-(5-amino-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 43144676
2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 28519051
5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 29301609
5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617147
4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 43114331
5-amino-2-chloro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667966
5-amino-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587461

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide (CID 29276222) is 5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(N)ccc2Cl)nc1.
What is the InChIKey of 5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is QYAJBBOEZLWTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-8-2-5-12(15-7-8)16-19(17,18)11-6-9(14)3-4-10(11)13/h2-7H,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide 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-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 29276222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).