3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

C11H13N3O3S — CID 81259081

IUPAC3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCn1cc(CNS(=O)(=O)c2cccc(O)c2)cn1
InChIInChI=1S/C11H13N3O3S/c1-14-8-9(6-12-14)7-13-18(16,17)11-4-2-3-10(15)5-11/h2-6,8,13,15H,7H2,1H3
InChIKeyWZMZMWFHSYHZGH-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.60
Rot. Bonds4

About 3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 81259081) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID81259081
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCn1cc(CNS(=O)(=O)c2cccc(O)c2)cn1
InChIInChI=1S/C11H13N3O3S/c1-14-8-9(6-12-14)7-13-18(16,17)11-4-2-3-10(15)5-11/h2-6,8,13,15H,7H2,1H3
InChIKeyWZMZMWFHSYHZGH-UHFFFAOYSA-N
XLogP0.60
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106018256
3-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
CID 126964493
3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 77091569
4-(2-chloroethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61348717
6-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 62158685
3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80681451
N-[[3-(aminomethyl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 55030523
N-[(1-methylpyrazol-4-yl)methyl]-3-(1,2-oxazol-5-ylmethylsulfamoyl)benzamide
CID 72933072
5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106018213
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide
CID 61018710
N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235671
N-[(1-methylpyrazol-4-yl)methyl]-3-methylsulfonylaniline
CID 54861574

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (CID 81259081) is 3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is Cn1cc(CNS(=O)(=O)c2cccc(O)c2)cn1.
What is the InChIKey of 3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is WZMZMWFHSYHZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-14-8-9(6-12-14)7-13-18(16,17)11-4-2-3-10(15)5-11/h2-6,8,13,15H,7H2,1H3.
What are the key properties of 3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 81259081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).