4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide

C19H13ClF2N2O3S — CID 2304457

IUPAC4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C19H13ClF2N2O3S/c20-15-8-6-12(19(25)23-14-7-9-16(21)17(22)11-14)10-18(15)28(26,27)24-13-4-2-1-3-5-13/h1-11,24H,(H,23,25)
InChIKeyNYSVRUWYFNUZGE-UHFFFAOYSA-N
MW422.84 g/mol
LogP4.67
Rot. Bonds5

About 4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide

4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide (PubChem CID 2304457) has the molecular formula C19H13ClF2N2O3S and a molecular weight of 422.84 g/mol. Its IUPAC name is 4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide
PubChem CID2304457
Molecular FormulaC19H13ClF2N2O3S
Molecular Weight422.84 g/mol
Exact Mass422.03
IUPAC Name4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C19H13ClF2N2O3S/c20-15-8-6-12(19(25)23-14-7-9-16(21)17(22)11-14)10-18(15)28(26,27)24-13-4-2-1-3-5-13/h1-11,24H,(H,23,25)
InChIKeyNYSVRUWYFNUZGE-UHFFFAOYSA-N
XLogP4.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.84
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(3,4-difluorophenyl)benzamide
CID 21236808
4-chloro-N-(2-fluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 126413264
4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide
CID 5028391
5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 78838843
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylsulfamoyl)benzamide
CID 4320437
3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 3340869
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 4217284
4-chloro-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide
CID 5041241
4-chloro-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(phenylsulfamoyl)benzamide
CID 1264396
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 55959975

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide (CID 2304457) is 4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide is O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of 4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide?
The InChIKey is NYSVRUWYFNUZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N2O3S/c20-15-8-6-12(19(25)23-14-7-9-16(21)17(22)11-14)10-18(15)28(26,27)24-13-4-2-1-3-5-13/h1-11,24H,(H,23,25).
What are the key properties of 4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide?
4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide has a molecular weight of 422.84 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 2304457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).