N-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide

C18H21ClN2O3S — CID 109061392

IUPACN-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide
SMILESCCCCCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-2-3-6-13-20-25(23,24)15-11-9-14(10-12-15)18(22)21-17-8-5-4-7-16(17)19/h4-5,7-12,20H,2-3,6,13H2,1H3,(H,21,22)
InChIKeyCBVHGJQYEBCOPR-UHFFFAOYSA-N
MW380.90 g/mol
LogP4.06
Rot. Bonds8

About N-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide

N-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide (PubChem CID 109061392) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide
PubChem CID109061392
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide
SMILESCCCCCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-2-3-6-13-20-25(23,24)15-11-9-14(10-12-15)18(22)21-17-8-5-4-7-16(17)19/h4-5,7-12,20H,2-3,6,13H2,1H3,(H,21,22)
InChIKeyCBVHGJQYEBCOPR-UHFFFAOYSA-N
XLogP4.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258058
4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide
CID 109058758
N-(2-ethylphenyl)-4-(propylsulfamoyl)benzamide
CID 109058046
N-(3-chloro-2-methylphenyl)-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059936
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
4-(2-chloroacetyl)-N-pentylbenzenesulfonamide
CID 82165572
N-(3-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109060186
N-(2-chlorophenyl)-3-(ethylsulfamoyl)benzamide
CID 26574954
N-(2-chlorophenyl)-4-(octanoylamino)benzamide
CID 171980600
N-(3-methoxyphenyl)-4-(pentylsulfamoyl)benzamide
CID 109061401
N-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide
CID 109057991
4-(butylsulfamoyl)benzoyl chloride
CID 91736822

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide?
The IUPAC name of N-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide (CID 109061392) is N-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide is CCCCCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide?
The InChIKey is CBVHGJQYEBCOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-2-3-6-13-20-25(23,24)15-11-9-14(10-12-15)18(22)21-17-8-5-4-7-16(17)19/h4-5,7-12,20H,2-3,6,13H2,1H3,(H,21,22).
What are the key properties of N-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide?
N-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide has a molecular weight of 380.90 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide is sourced from PubChem (CID 109061392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).