4-[4-(4-chlorophenyl)-5-(hydroxymethyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide

C19H18ClN3O3S — CID 70187985

IUPAC4-[4-(4-chlorophenyl)-5-(hydroxymethyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide
SMILESCC=Cn1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(Cl)cc2)c1CO
InChIInChI=1S/C19H18ClN3O3S/c1-2-11-23-17(12-24)18(13-3-7-15(20)8-4-13)19(22-23)14-5-9-16(10-6-14)27(21,25)26/h2-11,24H,12H2,1H3,(H2,21,25,26)
InChIKeyPQKYDZUNUWHNOE-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.50
Rot. Bonds5

About 4-[4-(4-chlorophenyl)-5-(hydroxymethyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide

4-[4-(4-chlorophenyl)-5-(hydroxymethyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide (PubChem CID 70187985) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-5-(hydroxymethyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-5-(hydroxymethyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide
PubChem CID70187985
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC Name4-[4-(4-chlorophenyl)-5-(hydroxymethyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide
SMILESCC=Cn1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(Cl)cc2)c1CO
InChIInChI=1S/C19H18ClN3O3S/c1-2-11-23-17(12-24)18(13-3-7-15(20)8-4-13)19(22-23)14-5-9-16(10-6-14)27(21,25)26/h2-11,24H,12H2,1H3,(H2,21,25,26)
InChIKeyPQKYDZUNUWHNOE-UHFFFAOYSA-N
XLogP3.50
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-(4-chlorophenyl)-5-(hydroxymethyl)-1-prop-1-enylpyrazol-3-yl]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

4-[4-(4-methylphenyl)-5-(1,1,2,2,2-pentafluoroethyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide
CID 173275789
2-[4-(4-chlorophenyl)-1-prop-1-enyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 67645439
4-[4-(4-chlorophenyl)-5-cyano-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide
CID 54228884
4-[4-(4-chlorophenyl)-5-methyl-1-(2-phenylethyl)pyrazol-3-yl]benzenesulfonamide
CID 19355267
2-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]butanoic acid
CID 54115831
4-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide
CID 19355219
4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide
CID 173275535
4-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 54241160
4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide
CID 173275897
4-(4-phenyl-1-prop-1-enylpyrazol-3-yl)benzenesulfonamide
CID 70188034
4-(4-chlorophenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)pyrazole-5-carboxylate
CID 18914556
ethyl 2-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate
CID 19355339

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-5-(hydroxymethyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-chlorophenyl)-5-(hydroxymethyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide (CID 70187985) is 4-[4-(4-chlorophenyl)-5-(hydroxymethyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-5-(hydroxymethyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-chlorophenyl)-5-(hydroxymethyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide is CC=Cn1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(Cl)cc2)c1CO.
What is the InChIKey of 4-[4-(4-chlorophenyl)-5-(hydroxymethyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide?
The InChIKey is PQKYDZUNUWHNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-2-11-23-17(12-24)18(13-3-7-15(20)8-4-13)19(22-23)14-5-9-16(10-6-14)27(21,25)26/h2-11,24H,12H2,1H3,(H2,21,25,26).
What are the key properties of 4-[4-(4-chlorophenyl)-5-(hydroxymethyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide?
4-[4-(4-chlorophenyl)-5-(hydroxymethyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide has a molecular weight of 403.89 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-5-(hydroxymethyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 70187985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).