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

C21H19ClN2O3S — CID 2725735

IUPAC4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H19ClN2O3S/c1-14-4-3-5-15(2)20(14)24-28(26,27)19-12-10-18(11-13-19)23-21(25)16-6-8-17(22)9-7-16/h3-13,24H,1-2H3,(H,23,25)
InChIKeyIKRHZHYBTDYGBM-UHFFFAOYSA-N
MW414.91 g/mol
LogP5.01
Rot. Bonds5

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

4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 2725735) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is 4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
PubChem CID2725735
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H19ClN2O3S/c1-14-4-3-5-15(2)20(14)24-28(26,27)19-12-10-18(11-13-19)23-21(25)16-6-8-17(22)9-7-16/h3-13,24H,1-2H3,(H,23,25)
InChIKeyIKRHZHYBTDYGBM-UHFFFAOYSA-N
XLogP5.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.91
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 55865615
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892610
N-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 109061714
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
CID 4933955
4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide
CID 55865230
4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 43880490
4-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
CID 3868276
4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
CID 109061758

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide (CID 2725735) is 4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide is Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is IKRHZHYBTDYGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-14-4-3-5-15(2)20(14)24-28(26,27)19-12-10-18(11-13-19)23-21(25)16-6-8-17(22)9-7-16/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of 4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide?
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 414.91 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 2725735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).