3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide

C23H19ClF2N2O4S — CID 146545871

IUPAC3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)cc(F)c2F)c1)N1CCCC1
InChIInChI=1S/C23H19ClF2N2O4S/c24-17-10-16(23(30)28-8-4-5-9-28)13-20(22(17)29)33(31,32)27-19-12-15(11-18(25)21(19)26)14-6-2-1-3-7-14/h1-3,6-7,10-13,27,29H,4-5,8-9H2
InChIKeyZEMNYXHQCOGFPR-UHFFFAOYSA-N
MW492.93 g/mol
LogP5.03
Rot. Bonds5

About 3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide

3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 146545871) has the molecular formula C23H19ClF2N2O4S and a molecular weight of 492.93 g/mol. Its IUPAC name is 3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID146545871
Molecular FormulaC23H19ClF2N2O4S
Molecular Weight492.93 g/mol
Exact Mass492.07
IUPAC Name3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)cc(F)c2F)c1)N1CCCC1
InChIInChI=1S/C23H19ClF2N2O4S/c24-17-10-16(23(30)28-8-4-5-9-28)13-20(22(17)29)33(31,32)27-19-12-15(11-18(25)21(19)26)14-6-2-1-3-7-14/h1-3,6-7,10-13,27,29H,4-5,8-9H2
InChIKeyZEMNYXHQCOGFPR-UHFFFAOYSA-N
XLogP5.03
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.93
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxy-5-(pyrrolidine-1-carbonyl)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-5-[(2,3-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoic acid
CID 146545712
tert-butyl 4-[3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 146601037
3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-methylbenzamide
CID 146545980
azetidin-1-yl-[3-chloro-4-hydroxy-5-[(4-phenyl-2-pyridinyl)methylsulfonyl]phenyl]methanone
CID 158268720
5-(azetidine-1-carbonyl)-N-(2,4-difluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide
CID 146545954
[3-chloro-5-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-hydroxyphenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 158483355
2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid
CID 146545806
1-N,3-N-bis(3-chloro-2-methylphenyl)-4-hydroxy-5-(pyrrolidine-1-carbonyl)benzene-1,3-disulfonamide
CID 145497981
ethyl 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate
CID 146545997
N-[1-[3-chloro-5-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-hydroxybenzoyl]azetidin-3-yl]acetamide
CID 159742825
3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 146545910
azetidin-1-yl-[3-chloro-5-[(5-cyclopropyl-2,4-difluorophenyl)methylsulfonyl]-4-hydroxyphenyl]methanone
CID 159265145

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 146545871) is 3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide is O=C(c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)cc(F)c2F)c1)N1CCCC1.
What is the InChIKey of 3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is ZEMNYXHQCOGFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N2O4S/c24-17-10-16(23(30)28-8-4-5-9-28)13-20(22(17)29)33(31,32)27-19-12-15(11-18(25)21(19)26)14-6-2-1-3-7-14/h1-3,6-7,10-13,27,29H,4-5,8-9H2.
What are the key properties of 3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 492.93 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 146545871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).