3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide

C21H20N2O4S — CID 1039728

IUPAC3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2C)cc1
InChIInChI=1S/C21H20N2O4S/c1-15-8-9-16(21(24)22-17-6-4-3-5-7-17)14-20(15)28(25,26)23-18-10-12-19(27-2)13-11-18/h3-14,23H,1-2H3,(H,22,24)
InChIKeyDAGIDJLRXZRQBY-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.06
Rot. Bonds6

About 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide

3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide (PubChem CID 1039728) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
PubChem CID1039728
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2C)cc1
InChIInChI=1S/C21H20N2O4S/c1-15-8-9-16(21(24)22-17-6-4-3-5-7-17)14-20(15)28(25,26)23-18-10-12-19(27-2)13-11-18/h3-14,23H,1-2H3,(H,22,24)
InChIKeyDAGIDJLRXZRQBY-UHFFFAOYSA-N
XLogP4.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1289257
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
N-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 9413965
3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 3340869
N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1022025
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126415351
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 99958629
3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 30451320
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126415722
N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 30295696
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
N-(3-fluoro-5-sulfamoylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 55979786

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide (CID 1039728) is 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide is COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2C)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide?
The InChIKey is DAGIDJLRXZRQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-15-8-9-16(21(24)22-17-6-4-3-5-7-17)14-20(15)28(25,26)23-18-10-12-19(27-2)13-11-18/h3-14,23H,1-2H3,(H,22,24).
What are the key properties of 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide?
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide has a molecular weight of 396.47 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide is sourced from PubChem (CID 1039728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).