N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide

C21H20N2O3S — CID 126384888

IUPACN-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
SMILESCc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C21H20N2O3S/c1-16-12-13-18(21(24)22-15-17-8-4-2-5-9-17)14-20(16)27(25,26)23-19-10-6-3-7-11-19/h2-14,23H,15H2,1H3,(H,22,24)
InChIKeyBYQSNWSSCNQZCR-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.73
Rot. Bonds6

About N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide

N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide (PubChem CID 126384888) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
PubChem CID126384888
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
SMILESCc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C21H20N2O3S/c1-16-12-13-18(21(24)22-15-17-8-4-2-5-9-17)14-20(16)27(25,26)23-19-10-6-3-7-11-19/h2-14,23H,15H2,1H3,(H,22,24)
InChIKeyBYQSNWSSCNQZCR-UHFFFAOYSA-N
XLogP3.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 46764508
4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide
CID 126412719
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 126415658
N,4-dimethyl-3-(phenylsulfamoyl)benzamide
CID 3894784
4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide
CID 126414386
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26447378
N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1022025
4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide
CID 961836
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 2232975
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
CID 4238415
3-[[[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]methyl]-N-methylbenzamide
CID 32914434

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide?
The IUPAC name of N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide (CID 126384888) is N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide is Cc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide?
The InChIKey is BYQSNWSSCNQZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-16-12-13-18(21(24)22-15-17-8-4-2-5-9-17)14-20(16)27(25,26)23-19-10-6-3-7-11-19/h2-14,23H,15H2,1H3,(H,22,24).
What are the key properties of N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide?
N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide has a molecular weight of 380.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 126384888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).