4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide

C16H12ClFN4O3S — CID 47835623

IUPAC4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H12ClFN4O3S/c17-13-6-1-10(16(23)20-15-7-8-19-21-15)9-14(13)22-26(24,25)12-4-2-11(18)3-5-12/h1-9,22H,(H2,19,20,21,23)
InChIKeyAQKGTSROTJLRQO-UHFFFAOYSA-N
MW394.82 g/mol
LogP3.26
Rot. Bonds5

About 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide

4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 47835623) has the molecular formula C16H12ClFN4O3S and a molecular weight of 394.82 g/mol. Its IUPAC name is 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
PubChem CID47835623
Molecular FormulaC16H12ClFN4O3S
Molecular Weight394.82 g/mol
Exact Mass394.03
IUPAC Name4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H12ClFN4O3S/c17-13-6-1-10(16(23)20-15-7-8-19-21-15)9-14(13)22-26(24,25)12-4-2-11(18)3-5-12/h1-9,22H,(H2,19,20,21,23)
InChIKeyAQKGTSROTJLRQO-UHFFFAOYSA-N
XLogP3.26
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide (CID 47835623) is 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide is O=C(Nc1ccn[nH]1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is AQKGTSROTJLRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O3S/c17-13-6-1-10(16(23)20-15-7-8-19-21-15)9-14(13)22-26(24,25)12-4-2-11(18)3-5-12/h1-9,22H,(H2,19,20,21,23).
What are the key properties of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide?
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 394.82 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 47835623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).