2-[benzenesulfonyl(methyl)amino]-N-(2-methylphenyl)benzamide

C21H20N2O3S — CID 1006749

IUPAC2-[benzenesulfonyl(methyl)amino]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H20N2O3S/c1-16-10-6-8-14-19(16)22-21(24)18-13-7-9-15-20(18)23(2)27(25,26)17-11-4-3-5-12-17/h3-15H,1-2H3,(H,22,24)
InChIKeyWADMJVONNBFFBH-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.07
Rot. Bonds5

About 2-[benzenesulfonyl(methyl)amino]-N-(2-methylphenyl)benzamide

2-[benzenesulfonyl(methyl)amino]-N-(2-methylphenyl)benzamide (PubChem CID 1006749) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-(2-methylphenyl)benzamide
PubChem CID1006749
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H20N2O3S/c1-16-10-6-8-14-19(16)22-21(24)18-13-7-9-15-20(18)23(2)27(25,26)17-11-4-3-5-12-17/h3-15H,1-2H3,(H,22,24)
InChIKeyWADMJVONNBFFBH-UHFFFAOYSA-N
XLogP4.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2'-Dithiobis-(N-(4-sulfamoylphenyl)-benzamide)
CID 375084
N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
N-[4-(Aminosulfonyl)phenyl]-2-mercaptobenzamide
CID 462919
N-(4-(Aminosulfonyl)phenyl)-4-tert-butylbenzamide
CID 315810
4-tert-butyl-N-(3-sulfamoylphenyl)benzamide
CID 2812911
N-Benzyl-N-butyl-4-(N-phenylsulfamoyl)benzamide
CID 137796294
USP30 inhibitor 18
CID 142474792
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
2-(benzenesulfonamido)-N-(thiolan-3-yl)benzamide
CID 2805665
N-(2-Benzoyl-phenyl)-4-[3-(3-piperidin-1-yl-propyl)-ureido]-benzenesulfonamide
CID 24895452
N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide
CID 126508254
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}-3-phenylpropanamide
CID 2812928

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(2-methylphenyl)benzamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(2-methylphenyl)benzamide (CID 1006749) is 2-[benzenesulfonyl(methyl)amino]-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-(2-methylphenyl)benzamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-(2-methylphenyl)benzamide?
The InChIKey is WADMJVONNBFFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-16-10-6-8-14-19(16)22-21(24)18-13-7-9-15-20(18)23(2)27(25,26)17-11-4-3-5-12-17/h3-15H,1-2H3,(H,22,24).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-(2-methylphenyl)benzamide?
2-[benzenesulfonyl(methyl)amino]-N-(2-methylphenyl)benzamide has a molecular weight of 380.47 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 1006749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).