4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide

C18H21ClN2O3S — CID 109058697

IUPAC4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide
SMILESCCCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-2-3-12-21-25(23,24)17-10-6-15(7-11-17)18(22)20-13-14-4-8-16(19)9-5-14/h4-11,21H,2-3,12-13H2,1H3,(H,20,22)
InChIKeyREZRINVISPPYEI-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.35
Rot. Bonds8

About 4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide

4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide (PubChem CID 109058697) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide
PubChem CID109058697
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide
SMILESCCCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-2-3-12-21-25(23,24)17-10-6-15(7-11-17)18(22)20-13-14-4-8-16(19)9-5-14/h4-11,21H,2-3,12-13H2,1H3,(H,20,22)
InChIKeyREZRINVISPPYEI-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
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-[(4-chlorophenyl)methyl]-4-(2-cyanoethylsulfamoyl)benzamide
CID 32684648
N-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 33313792
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 5073710
4-hexoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
CID 108759021
4-(butylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 109058705
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059892
4-(butylsulfamoyl)benzoyl chloride
CID 91736822
N-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide
CID 17473598
4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 109060291
N-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide
CID 109060284
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979

Frequently Asked Questions

What is the IUPAC name of 4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide?
The IUPAC name of 4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide (CID 109058697) is 4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide.
What is the SMILES notation for 4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide?
The canonical SMILES for 4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide is CCCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide?
The InChIKey is REZRINVISPPYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-2-3-12-21-25(23,24)17-10-6-15(7-11-17)18(22)20-13-14-4-8-16(19)9-5-14/h4-11,21H,2-3,12-13H2,1H3,(H,20,22).
What are the key properties of 4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide?
4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide has a molecular weight of 380.90 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide is sourced from PubChem (CID 109058697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).