3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide

C18H21ClN2O3S — CID 43016560

IUPAC3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C18H21ClN2O3S/c1-12(2)13(3)20-18(22)14-7-6-8-15(11-14)25(23,24)21-17-10-5-4-9-16(17)19/h4-13,21H,1-3H3,(H,20,22)
InChIKeyBVZNBTVPOPOQDF-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.92
Rot. Bonds6

About 3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide

3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide (PubChem CID 43016560) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
PubChem CID43016560
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C18H21ClN2O3S/c1-12(2)13(3)20-18(22)14-7-6-8-15(11-14)25(23,24)21-17-10-5-4-9-16(17)19/h4-13,21H,1-3H3,(H,20,22)
InChIKeyBVZNBTVPOPOQDF-UHFFFAOYSA-N
XLogP3.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-fluorophenyl)sulfamoyl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40790769
3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 40790771
3-[(2-chlorophenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46691959
3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide
CID 97012345
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813
N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251
N-[1-[2-[3-[(2-chlorophenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 24654446
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 26593186
N-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide
CID 9479518
3-[(2-chlorophenyl)sulfamoyl]-N-[3-(dimethylamino)propyl]benzamide
CID 109064248
3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide
CID 9060965
3-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214750

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide (CID 43016560) is 3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide is CC(C)C(C)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is BVZNBTVPOPOQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-12(2)13(3)20-18(22)14-7-6-8-15(11-14)25(23,24)21-17-10-5-4-9-16(17)19/h4-13,21H,1-3H3,(H,20,22).
What are the key properties of 3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide?
3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 380.90 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 43016560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).