N-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide

C18H21ClN2O3S — CID 109061299

IUPACN-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-13(2)10-11-20-25(23,24)17-8-6-14(7-9-17)18(22)21-16-5-3-4-15(19)12-16/h3-9,12-13,20H,10-11H2,1-2H3,(H,21,22)
InChIKeyGVULAAGFIXTTHI-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.92
Rot. Bonds7

About N-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide

N-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide (PubChem CID 109061299) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide
PubChem CID109061299
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-13(2)10-11-20-25(23,24)17-8-6-14(7-9-17)18(22)21-16-5-3-4-15(19)12-16/h3-9,12-13,20H,10-11H2,1-2H3,(H,21,22)
InChIKeyGVULAAGFIXTTHI-UHFFFAOYSA-N
XLogP3.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide
CID 109058758
N-(3-cyanophenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061321
N-(4-chloro-2-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061303
N-(3-chlorophenyl)-4-(methylsulfamoyl)benzamide
CID 34742954
4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 109061279
4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide
CID 46385848
4-(3-methylbutylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 109061277
N-(3-methoxyphenyl)-3-(3-methylbutylsulfamoyl)benzamide
CID 109065294
N-(3-chlorophenyl)-4-propan-2-ylbenzamide
CID 1406456
N-(3-chlorophenyl)-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109064025
N-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061292
N-(2,4-dimethylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061283

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide?
The IUPAC name of N-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide (CID 109061299) is N-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide is CC(C)CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide?
The InChIKey is GVULAAGFIXTTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-13(2)10-11-20-25(23,24)17-8-6-14(7-9-17)18(22)21-16-5-3-4-15(19)12-16/h3-9,12-13,20H,10-11H2,1-2H3,(H,21,22).
What are the key properties of N-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide?
N-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide has a molecular weight of 380.90 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide is sourced from PubChem (CID 109061299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).