4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide

C12H12N2O3S — CID 107585953

IUPAC4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cncc(NS(=O)(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C12H12N2O3S/c1-9-6-10(8-13-7-9)14-18(16,17)12-4-2-11(15)3-5-12/h2-8,14-15H,1H3
InChIKeyBLLUSRXIBAIZDW-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.90
Rot. Bonds3

About 4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide

4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 107585953) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID107585953
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cncc(NS(=O)(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C12H12N2O3S/c1-9-6-10(8-13-7-9)14-18(16,17)12-4-2-11(15)3-5-12/h2-8,14-15H,1H3
InChIKeyBLLUSRXIBAIZDW-UHFFFAOYSA-N
XLogP1.90
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727340
4-amino-3-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584526
N-(5-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110727348
4-methyl-3-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106088073
3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584520
N-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide
CID 107585860
ethane;N-(5-methyl-3-pyridinyl)methanesulfonamide
CID 143921222
2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727391
5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584501
4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide
CID 875203
2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid
CID 107584611
4-amino-N-(5-bromo-3-pyridinyl)benzenesulfonamide
CID 121223080

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide (CID 107585953) is 4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide is Cc1cncc(NS(=O)(=O)c2ccc(O)cc2)c1.
What is the InChIKey of 4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is BLLUSRXIBAIZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-9-6-10(8-13-7-9)14-18(16,17)12-4-2-11(15)3-5-12/h2-8,14-15H,1H3.
What are the key properties of 4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 264.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 107585953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).