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

C22H22N2O3S — CID 4933955

IUPACN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C22H22N2O3S/c1-15-7-4-5-10-20(15)22(25)23-18-11-13-19(14-12-18)28(26,27)24-21-16(2)8-6-9-17(21)3/h4-14,24H,1-3H3,(H,23,25)
InChIKeyGZXZPKLCLMHZDI-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.66
Rot. Bonds5

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

N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide (PubChem CID 4933955) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
PubChem CID4933955
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C22H22N2O3S/c1-15-7-4-5-10-20(15)22(25)23-18-11-13-19(14-12-18)28(26,27)24-21-16(2)8-6-9-17(21)3/h4-14,24H,1-3H3,(H,23,25)
InChIKeyGZXZPKLCLMHZDI-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

2-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 1333349
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide
CID 17355406
N-[4-[(2-ethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
CID 22306495
4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride
CID 13467302
2-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide
CID 1333791
2-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamoyl]benzoate
CID 7068760
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 2725735
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide
CID 40575887
N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide
CID 4278982
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide
CID 55865230
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 55865615
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
CID 1010223

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide (CID 4933955) is N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide?
The InChIKey is GZXZPKLCLMHZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-15-7-4-5-10-20(15)22(25)23-18-11-13-19(14-12-18)28(26,27)24-21-16(2)8-6-9-17(21)3/h4-14,24H,1-3H3,(H,23,25).
What are the key properties of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide?
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-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-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 4933955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).