N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide

C22H21ClN2O3S — CID 1241946

IUPACN-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2C)cc1C
InChIInChI=1S/C22H21ClN2O3S/c1-14-9-11-18(12-16(14)3)25-29(27,28)21-13-17(10-8-15(21)2)22(26)24-20-7-5-4-6-19(20)23/h4-13,25H,1-3H3,(H,24,26)
InChIKeySPUWLAQFJZAHBC-UHFFFAOYSA-N
MW428.94 g/mol
LogP5.32
Rot. Bonds5

About N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide

N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 1241946) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID1241946
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC NameN-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2C)cc1C
InChIInChI=1S/C22H21ClN2O3S/c1-14-9-11-18(12-16(14)3)25-29(27,28)21-13-17(10-8-15(21)2)22(26)24-20-7-5-4-6-19(20)23/h4-13,25H,1-3H3,(H,24,26)
InChIKeySPUWLAQFJZAHBC-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

N-(3-chloro-2-methylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126414925
N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 9411375
methyl 4-chloro-3-[[3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 4207135
N-(2-chlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126385388
4-chloro-N-(2-chlorophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388395
4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3484763
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-ethylsulfanylphenyl)benzamide
CID 30379122
N-(5-chloro-2-methoxyphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415005
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126414918
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126415351
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3692029

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide (CID 1241946) is N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2C)cc1C.
What is the InChIKey of N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is SPUWLAQFJZAHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c1-14-9-11-18(12-16(14)3)25-29(27,28)21-13-17(10-8-15(21)2)22(26)24-20-7-5-4-6-19(20)23/h4-13,25H,1-3H3,(H,24,26).
What are the key properties of N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide 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 N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 1241946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).