N-[(2-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide

C12H12N2O4S — CID 114332748

IUPACN-[(2-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)NCc2ccccc2O)c[nH]1
InChIInChI=1S/C12H12N2O4S/c15-11-4-2-1-3-9(11)7-14-19(17,18)10-5-6-12(16)13-8-10/h1-6,8,14-15H,7H2,(H,13,16)
InChIKeyLWGDUBRHNQQEAK-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.56
Rot. Bonds4

About N-[(2-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide

N-[(2-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 114332748) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID114332748
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC NameN-[(2-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)NCc2ccccc2O)c[nH]1
InChIInChI=1S/C12H12N2O4S/c15-11-4-2-1-3-9(11)7-14-19(17,18)10-5-6-12(16)13-8-10/h1-6,8,14-15H,7H2,(H,13,16)
InChIKeyLWGDUBRHNQQEAK-UHFFFAOYSA-N
XLogP0.56
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629113
6-oxo-N-(pyridazin-3-ylmethyl)-1H-pyridine-3-sulfonamide
CID 106897421
N-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629419
N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 115753767
3,5-dichloro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753806
N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629041
N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106011806
N,N-dimethyl-2-[(6-oxo-1H-pyridin-3-yl)sulfonylamino]acetamide
CID 43629293
N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61249722
N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102907510
N-(2-ethyl-6-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629071
N-[[2-(aminomethyl)phenyl]methyl]-1H-pyrrole-3-sulfonamide
CID 55157164

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 114332748) is N-[(2-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide is O=c1ccc(S(=O)(=O)NCc2ccccc2O)c[nH]1.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is LWGDUBRHNQQEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c15-11-4-2-1-3-9(11)7-14-19(17,18)10-5-6-12(16)13-8-10/h1-6,8,14-15H,7H2,(H,13,16).
What are the key properties of N-[(2-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
N-[(2-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 280.31 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 114332748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).