3-amino-5-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide

C13H14ClN3O3S — CID 114379246

IUPAC3-amino-5-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C13H14ClN3O3S/c1-8-11(15)5-9(14)6-12(8)21(19,20)16-10-3-4-13(18)17(2)7-10/h3-7,16H,15H2,1-2H3
InChIKeyJLFDCUCAJHQIOB-UHFFFAOYSA-N
MW327.79 g/mol
LogP1.73
Rot. Bonds3

About 3-amino-5-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide

3-amino-5-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide (PubChem CID 114379246) has the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol. Its IUPAC name is 3-amino-5-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
PubChem CID114379246
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Exact Mass327.04
IUPAC Name3-amino-5-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C13H14ClN3O3S/c1-8-11(15)5-9(14)6-12(8)21(19,20)16-10-3-4-13(18)17(2)7-10/h3-7,16H,15H2,1-2H3
InChIKeyJLFDCUCAJHQIOB-UHFFFAOYSA-N
XLogP1.73
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-chloro-N-(4-fluoro-3-methylphenyl)-2-methylbenzenesulfonamide
CID 114379533
5-amino-3-chloro-2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 61125327
3-amino-5-chloro-N-(3-chloro-5-fluorophenyl)-2-methylbenzenesulfonamide
CID 107363523
2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 47389435
2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide
CID 47072250
3-amino-5-chloro-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 114379875
3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 114379018
3-chloro-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 47389543
2-amino-6-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 61125702
3-amino-5-chloro-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
CID 107596287
2-amino-3,6-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 103171310
3-amino-N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885675

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide (CID 114379246) is 3-amino-5-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide is Cc1c(N)cc(Cl)cc1S(=O)(=O)Nc1ccc(=O)n(C)c1.
What is the InChIKey of 3-amino-5-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The InChIKey is JLFDCUCAJHQIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S/c1-8-11(15)5-9(14)6-12(8)21(19,20)16-10-3-4-13(18)17(2)7-10/h3-7,16H,15H2,1-2H3.
What are the key properties of 3-amino-5-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
3-amino-5-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide has a molecular weight of 327.79 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 114379246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).