N-(4-methyl-3-sulfamoylphenyl)pyridine-3-sulfonamide

C12H13N3O4S2 — CID 61131422

IUPACN-(4-methyl-3-sulfamoylphenyl)pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccnc2)cc1S(N)(=O)=O
InChIInChI=1S/C12H13N3O4S2/c1-9-4-5-10(7-12(9)20(13,16)17)15-21(18,19)11-3-2-6-14-8-11/h2-8,15H,1H3,(H2,13,16,17)
InChIKeySPHGSZYMHAPSPL-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.84
Rot. Bonds4

About N-(4-methyl-3-sulfamoylphenyl)pyridine-3-sulfonamide

N-(4-methyl-3-sulfamoylphenyl)pyridine-3-sulfonamide (PubChem CID 61131422) has the molecular formula C12H13N3O4S2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(4-methyl-3-sulfamoylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-methyl-3-sulfamoylphenyl)pyridine-3-sulfonamide
PubChem CID61131422
Molecular FormulaC12H13N3O4S2
Molecular Weight327.39 g/mol
Exact Mass327.03
IUPAC NameN-(4-methyl-3-sulfamoylphenyl)pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccnc2)cc1S(N)(=O)=O
InChIInChI=1S/C12H13N3O4S2/c1-9-4-5-10(7-12(9)20(13,16)17)15-21(18,19)11-3-2-6-14-8-11/h2-8,15H,1H3,(H2,13,16,17)
InChIKeySPHGSZYMHAPSPL-UHFFFAOYSA-N
XLogP0.84
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide
CID 25048223
N-[4-(4-methyl-3-pyridinyl)phenyl]pyridine-3-sulfonamide
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4-(benzenesulfonamido)-2-methylbenzenesulfonamide
CID 43246869
N-(2-methyl-1,3-benzothiazol-5-yl)pyridine-3-sulfonamide
CID 25040146
N-(3-iodophenyl)pyridine-3-sulfonamide
CID 61400317
N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 110865791
N-[3-(pyridin-3-ylsulfonylamino)phenyl]acetamide
CID 110865862
N-(4-amino-2-methylphenyl)pyridine-3-sulfonamide
CID 24696951
2-bromo-5-(pyridin-3-ylsulfonylamino)benzoic acid
CID 115296023
N-(3-chloro-4-methoxyphenyl)pyridine-3-sulfonamide
CID 110865835
4-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzene-1,4-disulfonamide
CID 18286970
4-methyl-2-(pyridin-3-ylsulfonylamino)-1,3-thiazole-5-sulfonamide
CID 63944661

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-sulfamoylphenyl)pyridine-3-sulfonamide?
The IUPAC name of N-(4-methyl-3-sulfamoylphenyl)pyridine-3-sulfonamide (CID 61131422) is N-(4-methyl-3-sulfamoylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-methyl-3-sulfamoylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(4-methyl-3-sulfamoylphenyl)pyridine-3-sulfonamide is Cc1ccc(NS(=O)(=O)c2cccnc2)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methyl-3-sulfamoylphenyl)pyridine-3-sulfonamide?
The InChIKey is SPHGSZYMHAPSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S2/c1-9-4-5-10(7-12(9)20(13,16)17)15-21(18,19)11-3-2-6-14-8-11/h2-8,15H,1H3,(H2,13,16,17).
What are the key properties of N-(4-methyl-3-sulfamoylphenyl)pyridine-3-sulfonamide?
N-(4-methyl-3-sulfamoylphenyl)pyridine-3-sulfonamide has a molecular weight of 327.39 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-sulfamoylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 61131422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).