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

C22H22N2O3S — CID 1310856

IUPACN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1
InChIInChI=1S/C22H22N2O3S/c1-15-5-4-6-18(13-15)22(25)23-19-9-11-21(12-10-19)28(26,27)24-20-8-7-16(2)17(3)14-20/h4-14,24H,1-3H3,(H,23,25)
InChIKeyMWGWNPDLRQYJRE-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.66
Rot. Bonds5

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

N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide (PubChem CID 1310856) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide
PubChem CID1310856
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1
InChIInChI=1S/C22H22N2O3S/c1-15-5-4-6-18(13-15)22(25)23-19-9-11-21(12-10-19)28(26,27)24-20-8-7-16(2)17(3)14-20/h4-14,24H,1-3H3,(H,23,25)
InChIKeyMWGWNPDLRQYJRE-UHFFFAOYSA-N
XLogP4.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 4940243
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 1013069
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(methylsulfamoyl)benzamide
CID 31307957
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-(carbamoylsulfamoyl)phenyl]-3-methylbenzamide
CID 38112845
methyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26886837
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 26579304
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289
N-(4-acetylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 7542008
N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 1116088
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3484763

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide (CID 1310856) is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1.
What is the InChIKey of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide?
The InChIKey is MWGWNPDLRQYJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-15-5-4-6-18(13-15)22(25)23-19-9-11-21(12-10-19)28(26,27)24-20-8-7-16(2)17(3)14-20/h4-14,24H,1-3H3,(H,23,25).
What are the key properties of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide?
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide has a molecular weight of 394.50 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 1310856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).