4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide

C25H19ClFN3O5S2 — CID 5028391

IUPAC4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C25H19ClFN3O5S2/c26-23-15-6-17(16-24(23)37(34,35)30-20-4-2-1-3-5-20)25(31)28-19-11-13-22(14-12-19)36(32,33)29-21-9-7-18(27)8-10-21/h1-16,29-30H,(H,28,31)
InChIKeyROAFYGOXSDRSHY-UHFFFAOYSA-N
MW560.03 g/mol
LogP5.33
Rot. Bonds8

About 4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide

4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide (PubChem CID 5028391) has the molecular formula C25H19ClFN3O5S2 and a molecular weight of 560.03 g/mol. Its IUPAC name is 4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide
PubChem CID5028391
Molecular FormulaC25H19ClFN3O5S2
Molecular Weight560.03 g/mol
Exact Mass559.04
IUPAC Name4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C25H19ClFN3O5S2/c26-23-15-6-17(16-24(23)37(34,35)30-20-4-2-1-3-5-20)25(31)28-19-11-13-22(14-12-19)36(32,33)29-21-9-7-18(27)8-10-21/h1-16,29-30H,(H,28,31)
InChIKeyROAFYGOXSDRSHY-UHFFFAOYSA-N
XLogP5.33
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.03
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide
CID 5041241
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126414116
4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 2304457
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 27228973
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
4-chloro-N-(2-fluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 126413264
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3483233
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
3,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638196
N-(3-chlorophenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 7553525
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 24649153

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide (CID 5028391) is 4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of 4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide?
The InChIKey is ROAFYGOXSDRSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN3O5S2/c26-23-15-6-17(16-24(23)37(34,35)30-20-4-2-1-3-5-20)25(31)28-19-11-13-22(14-12-19)36(32,33)29-21-9-7-18(27)8-10-21/h1-16,29-30H,(H,28,31).
What are the key properties of 4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide?
4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide has a molecular weight of 560.03 g/mol, XLogP of 5.33, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 5028391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).