2-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide

C22H21ClN2O3S — CID 1333791

IUPAC2-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c(C)c1
InChIInChI=1S/C22H21ClN2O3S/c1-14-12-15(2)21(16(3)13-14)25-29(27,28)18-10-8-17(9-11-18)24-22(26)19-6-4-5-7-20(19)23/h4-13,25H,1-3H3,(H,24,26)
InChIKeyGTYPTFMFWUKRRR-UHFFFAOYSA-N
MW428.94 g/mol
LogP5.32
Rot. Bonds5

About 2-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide

2-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 1333791) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is 2-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide
PubChem CID1333791
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC Name2-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c(C)c1
InChIInChI=1S/C22H21ClN2O3S/c1-14-12-15(2)21(16(3)13-14)25-29(27,28)18-10-8-17(9-11-18)24-22(26)19-6-4-5-7-20(19)23/h4-13,25H,1-3H3,(H,24,26)
InChIKeyGTYPTFMFWUKRRR-UHFFFAOYSA-N
XLogP5.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.94
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamoyl]benzoate
CID 7068760
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
CID 4933955
2-chloro-N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 4627199
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036
5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
CID 28575633
2-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 1333349
2-chloro-N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 141273722
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
4-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3637891
2-chloro-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43915574

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide (CID 1333791) is 2-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide is Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c(C)c1.
What is the InChIKey of 2-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is GTYPTFMFWUKRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c1-14-12-15(2)21(16(3)13-14)25-29(27,28)18-10-8-17(9-11-18)24-22(26)19-6-4-5-7-20(19)23/h4-13,25H,1-3H3,(H,24,26).
What are the key properties of 2-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide?
2-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 428.94 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 1333791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).