2,5-dichloro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide

C16H13Cl2N3O2S — CID 35521098

IUPAC2,5-dichloro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccn(-c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)n1
InChIInChI=1S/C16H13Cl2N3O2S/c1-11-8-9-21(19-11)14-5-3-13(4-6-14)20-24(22,23)16-10-12(17)2-7-15(16)18/h2-10,20H,1H3
InChIKeyLXEZCHJNGIDHBE-UHFFFAOYSA-N
MW382.27 g/mol
LogP4.29
Rot. Bonds4

About 2,5-dichloro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide

2,5-dichloro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 35521098) has the molecular formula C16H13Cl2N3O2S and a molecular weight of 382.27 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide
PubChem CID35521098
Molecular FormulaC16H13Cl2N3O2S
Molecular Weight382.27 g/mol
Exact Mass381.01
IUPAC Name2,5-dichloro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccn(-c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)n1
InChIInChI=1S/C16H13Cl2N3O2S/c1-11-8-9-21(19-11)14-5-3-13(4-6-14)20-24(22,23)16-10-12(17)2-7-15(16)18/h2-10,20H,1H3
InChIKeyLXEZCHJNGIDHBE-UHFFFAOYSA-N
XLogP4.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-dichloro-N-[4-(3-methylpyrazol-1-yl)phenyl]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-fluoro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide
CID 35521119
2,5-dichloro-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122297620
2,5-dichloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzenesulfonamide
CID 39854116
2,5-dichloro-N-(2-methylquinolin-6-yl)benzenesulfonamide
CID 11280072
2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide
CID 4199762
2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 7303996
2,5-dichloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 121074150
4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
CID 776763
2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 989106
2,5-dichloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide
CID 17394882
2,5-dichloro-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309310
N-[4-(3-methylpyrazol-1-yl)phenyl]butane-1-sulfonamide
CID 35521147

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide (CID 35521098) is 2,5-dichloro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide is Cc1ccn(-c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)n1.
What is the InChIKey of 2,5-dichloro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is LXEZCHJNGIDHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2S/c1-11-8-9-21(19-11)14-5-3-13(4-6-14)20-24(22,23)16-10-12(17)2-7-15(16)18/h2-10,20H,1H3.
What are the key properties of 2,5-dichloro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide?
2,5-dichloro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 382.27 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 35521098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).