N-[4-(benzylsulfamoyl)phenyl]-2-methylbenzamide

C21H20N2O3S — CID 1301118

IUPACN-[4-(benzylsulfamoyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C21H20N2O3S/c1-16-7-5-6-10-20(16)21(24)23-18-11-13-19(14-12-18)27(25,26)22-15-17-8-3-2-4-9-17/h2-14,22H,15H2,1H3,(H,23,24)
InChIKeyXDXPTYZMBYYIPX-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.73
Rot. Bonds6

About N-[4-(benzylsulfamoyl)phenyl]-2-methylbenzamide

N-[4-(benzylsulfamoyl)phenyl]-2-methylbenzamide (PubChem CID 1301118) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[4-(benzylsulfamoyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(benzylsulfamoyl)phenyl]-2-methylbenzamide
PubChem CID1301118
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-[4-(benzylsulfamoyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C21H20N2O3S/c1-16-7-5-6-10-20(16)21(24)23-18-11-13-19(14-12-18)27(25,26)22-15-17-8-3-2-4-9-17/h2-14,22H,15H2,1H3,(H,23,24)
InChIKeyXDXPTYZMBYYIPX-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-2-methylbenzamide (CID 1301118) is N-[4-(benzylsulfamoyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(benzylsulfamoyl)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-(benzylsulfamoyl)phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-[4-(benzylsulfamoyl)phenyl]-2-methylbenzamide?
The InChIKey is XDXPTYZMBYYIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-16-7-5-6-10-20(16)21(24)23-18-11-13-19(14-12-18)27(25,26)22-15-17-8-3-2-4-9-17/h2-14,22H,15H2,1H3,(H,23,24).
What are the key properties of N-[4-(benzylsulfamoyl)phenyl]-2-methylbenzamide?
N-[4-(benzylsulfamoyl)phenyl]-2-methylbenzamide 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-[4-(benzylsulfamoyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 1301118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).