4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[(2-methylphenyl)methyl]benzamide

C20H25ClN2O3S — CID 34940830

IUPAC4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[(2-methylphenyl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2C)ccc1Cl
InChIInChI=1S/C20H25ClN2O3S/c1-5-23(6-2)27(25,26)19-13-16(11-12-18(19)21)20(24)22(4)14-17-10-8-7-9-15(17)3/h7-13H,5-6,14H2,1-4H3
InChIKeyFYXPRZPNDILSGZ-UHFFFAOYSA-N
MW408.95 g/mol
LogP3.95
Rot. Bonds7

About 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[(2-methylphenyl)methyl]benzamide

4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[(2-methylphenyl)methyl]benzamide (PubChem CID 34940830) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[(2-methylphenyl)methyl]benzamide
PubChem CID34940830
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[(2-methylphenyl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2C)ccc1Cl
InChIInChI=1S/C20H25ClN2O3S/c1-5-23(6-2)27(25,26)19-13-16(11-12-18(19)21)20(24)22(4)14-17-10-8-7-9-15(17)3/h7-13H,5-6,14H2,1-4H3
InChIKeyFYXPRZPNDILSGZ-UHFFFAOYSA-N
XLogP3.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 16521886
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960780
N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27665708
N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27773808
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 38202373
3-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide
CID 26555928
4-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 51098556
2-chloro-5-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 31138592
4-chloro-3-(diethylsulfamoyl)-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 60538447
4-(ethylamino)-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 62175917
4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 63213046

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[(2-methylphenyl)methyl]benzamide?
The IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[(2-methylphenyl)methyl]benzamide (CID 34940830) is 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[(2-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[(2-methylphenyl)methyl]benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2C)ccc1Cl.
What is the InChIKey of 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[(2-methylphenyl)methyl]benzamide?
The InChIKey is FYXPRZPNDILSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-5-23(6-2)27(25,26)19-13-16(11-12-18(19)21)20(24)22(4)14-17-10-8-7-9-15(17)3/h7-13H,5-6,14H2,1-4H3.
What are the key properties of 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[(2-methylphenyl)methyl]benzamide?
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[(2-methylphenyl)methyl]benzamide has a molecular weight of 408.95 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[(2-methylphenyl)methyl]benzamide is sourced from PubChem (CID 34940830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).