2,4-dihydroxy-N-(pyridin-4-ylmethyl)benzenesulfonamide

C12H12N2O4S — CID 143109406

IUPAC2,4-dihydroxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccncc1)c1ccc(O)cc1O
InChIInChI=1S/C12H12N2O4S/c15-10-1-2-12(11(16)7-10)19(17,18)14-8-9-3-5-13-6-4-9/h1-7,14-16H,8H2
InChIKeyQEIVSPDRUUAXOX-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.97
Rot. Bonds4

About 2,4-dihydroxy-N-(pyridin-4-ylmethyl)benzenesulfonamide

2,4-dihydroxy-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 143109406) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2,4-dihydroxy-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID143109406
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name2,4-dihydroxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccncc1)c1ccc(O)cc1O
InChIInChI=1S/C12H12N2O4S/c15-10-1-2-12(11(16)7-10)19(17,18)14-8-9-3-5-13-6-4-9/h1-7,14-16H,8H2
InChIKeyQEIVSPDRUUAXOX-UHFFFAOYSA-N
XLogP0.97
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 60823464
2-amino-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 28590099
2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2127166
2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 106030969
5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62804132
4-[(pyridin-4-ylmethylamino)methyl]benzene-1,3-diol
CID 28669626
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 110758794
2,4-dinitro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 14616990
4-bromo-3-(pyridin-4-ylmethylsulfamoyl)benzoic acid
CID 28830112
3-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 17221138
2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 106030940
2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 786081

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,4-dihydroxy-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 143109406) is 2,4-dihydroxy-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dihydroxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dihydroxy-N-(pyridin-4-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccncc1)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is QEIVSPDRUUAXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c15-10-1-2-12(11(16)7-10)19(17,18)14-8-9-3-5-13-6-4-9/h1-7,14-16H,8H2.
What are the key properties of 2,4-dihydroxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
2,4-dihydroxy-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 280.31 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 143109406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).