N-[2-(benzylcarbamoyl)phenyl]-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide

C28H24ClN3O4S — CID 46778797

IUPACN-[2-(benzylcarbamoyl)phenyl]-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)c(Cl)c2)cc1
InChIInChI=1S/C28H24ClN3O4S/c1-19-11-14-22(15-12-19)37(35,36)32-21-13-16-23(25(29)17-21)28(34)31-26-10-6-5-9-24(26)27(33)30-18-20-7-3-2-4-8-20/h2-17,32H,18H2,1H3,(H,30,33)(H,31,34)
InChIKeyTZLZFZDYHPXAAM-UHFFFAOYSA-N
MW534.04 g/mol
LogP5.63
Rot. Bonds8

About N-[2-(benzylcarbamoyl)phenyl]-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide

N-[2-(benzylcarbamoyl)phenyl]-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 46778797) has the molecular formula C28H24ClN3O4S and a molecular weight of 534.04 g/mol. Its IUPAC name is N-[2-(benzylcarbamoyl)phenyl]-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[2-(benzylcarbamoyl)phenyl]-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID46778797
Molecular FormulaC28H24ClN3O4S
Molecular Weight534.04 g/mol
Exact Mass533.12
IUPAC NameN-[2-(benzylcarbamoyl)phenyl]-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)c(Cl)c2)cc1
InChIInChI=1S/C28H24ClN3O4S/c1-19-11-14-22(15-12-19)37(35,36)32-21-13-16-23(25(29)17-21)28(34)31-26-10-6-5-9-24(26)27(33)30-18-20-7-3-2-4-8-20/h2-17,32H,18H2,1H3,(H,30,33)(H,31,34)
InChIKeyTZLZFZDYHPXAAM-UHFFFAOYSA-N
XLogP5.63
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.04
LogP ≤ 55.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzylcarbamoyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062457
2-chloro-N-(2-fluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43910411
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 94862163
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 28566679
4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 99956396
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
2-chloro-N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772238
4-(benzenesulfonamido)-2-chloro-N-(2-ethylphenyl)benzamide
CID 28632195
2-chloro-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43915574
2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1356310
4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 92679565

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylcarbamoyl)phenyl]-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[2-(benzylcarbamoyl)phenyl]-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 46778797) is N-[2-(benzylcarbamoyl)phenyl]-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[2-(benzylcarbamoyl)phenyl]-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[2-(benzylcarbamoyl)phenyl]-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)c(Cl)c2)cc1.
What is the InChIKey of N-[2-(benzylcarbamoyl)phenyl]-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is TZLZFZDYHPXAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN3O4S/c1-19-11-14-22(15-12-19)37(35,36)32-21-13-16-23(25(29)17-21)28(34)31-26-10-6-5-9-24(26)27(33)30-18-20-7-3-2-4-8-20/h2-17,32H,18H2,1H3,(H,30,33)(H,31,34).
What are the key properties of N-[2-(benzylcarbamoyl)phenyl]-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide?
N-[2-(benzylcarbamoyl)phenyl]-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 534.04 g/mol, XLogP of 5.63, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylcarbamoyl)phenyl]-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 46778797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).