4-(benzenesulfonamido)-3-chloro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide

C28H24ClN3O4S — CID 43915504

IUPAC4-(benzenesulfonamido)-3-chloro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C28H24ClN3O4S/c29-24-19-21(15-16-26(24)32-37(35,36)22-11-5-2-6-12-22)27(33)31-25-14-8-7-13-23(25)28(34)30-18-17-20-9-3-1-4-10-20/h1-16,19,32H,17-18H2,(H,30,34)(H,31,33)
InChIKeyWEQYTDDWTONMJW-UHFFFAOYSA-N
MW534.04 g/mol
LogP5.37
Rot. Bonds9

About 4-(benzenesulfonamido)-3-chloro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide

4-(benzenesulfonamido)-3-chloro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide (PubChem CID 43915504) has the molecular formula C28H24ClN3O4S and a molecular weight of 534.04 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-3-chloro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-3-chloro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
PubChem CID43915504
Molecular FormulaC28H24ClN3O4S
Molecular Weight534.04 g/mol
Exact Mass533.12
IUPAC Name4-(benzenesulfonamido)-3-chloro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C28H24ClN3O4S/c29-24-19-21(15-16-26(24)32-37(35,36)22-11-5-2-6-12-22)27(33)31-25-14-8-7-13-23(25)28(34)30-18-17-20-9-3-1-4-10-20/h1-16,19,32H,17-18H2,(H,30,34)(H,31,33)
InChIKeyWEQYTDDWTONMJW-UHFFFAOYSA-N
XLogP5.37
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.04
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 29441571
4-(benzenesulfonamido)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 28578090
2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 2333846
4-(benzenesulfonamido)-3-chloro-N-(3-methylbutyl)benzamide
CID 99953455
3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 46410067
4-(benzenesulfonamido)-3-chloro-N-(2-phenoxyphenyl)benzamide
CID 92672200
4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide
CID 46770830
4-(benzenesulfonamido)-3-chloro-N-[3-(3-methoxyphenyl)propyl]benzamide
CID 92674197
2-[[3-[(2,4-dichlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 10183345
N-[2-(3-chlorophenyl)ethyl]-4-[(2-chlorophenyl)sulfamoyl]benzamide
CID 32815386
ethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]-3-chlorobenzoate
CID 92679847
2-(benzenesulfonamido)-N-(2,4-dichlorophenyl)benzamide
CID 155547933

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-3-chloro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-3-chloro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide (CID 43915504) is 4-(benzenesulfonamido)-3-chloro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-3-chloro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-3-chloro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide is O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1.
What is the InChIKey of 4-(benzenesulfonamido)-3-chloro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide?
The InChIKey is WEQYTDDWTONMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN3O4S/c29-24-19-21(15-16-26(24)32-37(35,36)22-11-5-2-6-12-22)27(33)31-25-14-8-7-13-23(25)28(34)30-18-17-20-9-3-1-4-10-20/h1-16,19,32H,17-18H2,(H,30,34)(H,31,33).
What are the key properties of 4-(benzenesulfonamido)-3-chloro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide?
4-(benzenesulfonamido)-3-chloro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide has a molecular weight of 534.04 g/mol, XLogP of 5.37, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-3-chloro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 43915504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).