2-chloro-4,5-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C17H15ClF2N2O3S — CID 1253291

IUPAC2-chloro-4,5-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C17H15ClF2N2O3S/c18-14-10-16(20)15(19)9-13(14)17(23)21-11-3-5-12(6-4-11)26(24,25)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8H2,(H,21,23)
InChIKeyUBNIAYYISQIAAH-UHFFFAOYSA-N
MW400.83 g/mol
LogP3.65
Rot. Bonds4

About 2-chloro-4,5-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

2-chloro-4,5-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 1253291) has the molecular formula C17H15ClF2N2O3S and a molecular weight of 400.83 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID1253291
Molecular FormulaC17H15ClF2N2O3S
Molecular Weight400.83 g/mol
Exact Mass400.05
IUPAC Name2-chloro-4,5-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C17H15ClF2N2O3S/c18-14-10-16(20)15(19)9-13(14)17(23)21-11-3-5-12(6-4-11)26(24,25)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8H2,(H,21,23)
InChIKeyUBNIAYYISQIAAH-UHFFFAOYSA-N
XLogP3.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.83
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-chloro-4,5-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide 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

Abt-639
CID 46851313
2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 5157334
(2E)-3-(2-chlorophenyl)-2-cyano-N-(4-sulfamoylphenyl)prop-2-enamide
CID 2520594
4-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]benzamide
CID 738960
N-(4-chlorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
CID 1019053
3-chloro-N-(4-sulfamoylphenyl)benzamide
CID 2455664
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide
CID 4338027
2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4571173
N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 968625
(E)-3-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 2672927
3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide
CID 2704881
4-chloro-N-(3-sulfamoylphenyl)benzamide
CID 3564294

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 1253291) is 2-chloro-4,5-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is UBNIAYYISQIAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O3S/c18-14-10-16(20)15(19)9-13(14)17(23)21-11-3-5-12(6-4-11)26(24,25)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8H2,(H,21,23).
What are the key properties of 2-chloro-4,5-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
2-chloro-4,5-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 400.83 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 1253291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).