4-chloro-3-(phenylsulfamoyl)-N-(2-phenylsulfanylphenyl)benzamide

C25H19ClN2O3S2 — CID 126416748

IUPAC4-chloro-3-(phenylsulfamoyl)-N-(2-phenylsulfanylphenyl)benzamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C25H19ClN2O3S2/c26-21-16-15-18(17-24(21)33(30,31)28-19-9-3-1-4-10-19)25(29)27-22-13-7-8-14-23(22)32-20-11-5-2-6-12-20/h1-17,28H,(H,27,29)
InChIKeyWDKYXXZBOWLHSN-UHFFFAOYSA-N
MW495.03 g/mol
LogP6.54
Rot. Bonds7

About 4-chloro-3-(phenylsulfamoyl)-N-(2-phenylsulfanylphenyl)benzamide

4-chloro-3-(phenylsulfamoyl)-N-(2-phenylsulfanylphenyl)benzamide (PubChem CID 126416748) has the molecular formula C25H19ClN2O3S2 and a molecular weight of 495.03 g/mol. Its IUPAC name is 4-chloro-3-(phenylsulfamoyl)-N-(2-phenylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(phenylsulfamoyl)-N-(2-phenylsulfanylphenyl)benzamide
PubChem CID126416748
Molecular FormulaC25H19ClN2O3S2
Molecular Weight495.03 g/mol
Exact Mass494.05
IUPAC Name4-chloro-3-(phenylsulfamoyl)-N-(2-phenylsulfanylphenyl)benzamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C25H19ClN2O3S2/c26-21-16-15-18(17-24(21)33(30,31)28-19-9-3-1-4-10-19)25(29)27-22-13-7-8-14-23(22)32-20-11-5-2-6-12-20/h1-17,28H,(H,27,29)
InChIKeyWDKYXXZBOWLHSN-UHFFFAOYSA-N
XLogP6.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.03
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-fluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 126413264
4-chloro-N-(3-chloro-2-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3288901
4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide
CID 4655092
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-ethylsulfanylphenyl)benzamide
CID 30379122
4-chloro-N-(2-chlorophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388395
4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 2304457
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-methylsulfanylphenyl)benzamide
CID 2226910
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126414116
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide
CID 5028391
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide
CID 2909414

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(phenylsulfamoyl)-N-(2-phenylsulfanylphenyl)benzamide?
The IUPAC name of 4-chloro-3-(phenylsulfamoyl)-N-(2-phenylsulfanylphenyl)benzamide (CID 126416748) is 4-chloro-3-(phenylsulfamoyl)-N-(2-phenylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-(phenylsulfamoyl)-N-(2-phenylsulfanylphenyl)benzamide?
The canonical SMILES for 4-chloro-3-(phenylsulfamoyl)-N-(2-phenylsulfanylphenyl)benzamide is O=C(Nc1ccccc1Sc1ccccc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of 4-chloro-3-(phenylsulfamoyl)-N-(2-phenylsulfanylphenyl)benzamide?
The InChIKey is WDKYXXZBOWLHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O3S2/c26-21-16-15-18(17-24(21)33(30,31)28-19-9-3-1-4-10-19)25(29)27-22-13-7-8-14-23(22)32-20-11-5-2-6-12-20/h1-17,28H,(H,27,29).
What are the key properties of 4-chloro-3-(phenylsulfamoyl)-N-(2-phenylsulfanylphenyl)benzamide?
4-chloro-3-(phenylsulfamoyl)-N-(2-phenylsulfanylphenyl)benzamide has a molecular weight of 495.03 g/mol, XLogP of 6.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(phenylsulfamoyl)-N-(2-phenylsulfanylphenyl)benzamide is sourced from PubChem (CID 126416748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).