3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide

C18H21ClN2O3S — CID 134058784

IUPAC3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C)C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C18H21ClN2O3S/c1-13(2)12-21(3)18(22)14-6-4-9-17(10-14)25(23,24)20-16-8-5-7-15(19)11-16/h4-11,13,20H,12H2,1-3H3
InChIKeyXTHIRMDXNHFAHE-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.87
Rot. Bonds6

About 3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide

3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide (PubChem CID 134058784) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
PubChem CID134058784
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C)C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C18H21ClN2O3S/c1-13(2)12-21(3)18(22)14-6-4-9-17(10-14)25(23,24)20-16-8-5-7-15(19)11-16/h4-11,13,20H,12H2,1-3H3
InChIKeyXTHIRMDXNHFAHE-UHFFFAOYSA-N
XLogP3.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 27227245
3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498991
N-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-chlorophenyl)sulfamoyl]-N-methylbenzamide
CID 26560928
3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 24660209
3-[(3-chlorophenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide
CID 24560167
3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24504607
3-[(3-chlorophenyl)sulfamoyl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 25496186
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 9227005
N-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109065512
3-acetamido-N-methyl-N-(2-methylpropyl)benzamide
CID 47163271
N-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109065518
2-chloro-N-[2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]ethyl]benzamide
CID 55659484

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide (CID 134058784) is 3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide is CC(C)CN(C)C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is XTHIRMDXNHFAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-13(2)12-21(3)18(22)14-6-4-9-17(10-14)25(23,24)20-16-8-5-7-15(19)11-16/h4-11,13,20H,12H2,1-3H3.
What are the key properties of 3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide?
3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 380.90 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 134058784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).