2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide

C20H25ClN2O3S — CID 4143935

IUPAC2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide
SMILESCCCCCCNS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-2-3-4-5-14-22-27(25,26)19-12-10-18(11-13-19)23-20(24)15-16-6-8-17(21)9-7-16/h6-13,22H,2-5,14-15H2,1H3,(H,23,24)
InChIKeyMJWCQIFXVBOGEY-UHFFFAOYSA-N
MW408.95 g/mol
LogP4.38
Rot. Bonds10

About 2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide

2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide (PubChem CID 4143935) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide
PubChem CID4143935
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide
SMILESCCCCCCNS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-2-3-4-5-14-22-27(25,26)19-12-10-18(11-13-19)23-20(24)15-16-6-8-17(21)9-7-16/h6-13,22H,2-5,14-15H2,1H3,(H,23,24)
InChIKeyMJWCQIFXVBOGEY-UHFFFAOYSA-N
XLogP4.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 54.38
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

3-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]prop-2-enamide
CID 3331699
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
CID 17225792
2,2-dichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 3354024
2,2,2-trichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 4105692
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide
CID 17192252
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
N-(4-chlorophenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 5185109
2-(4-chlorophenyl)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 4936631
N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide
CID 54790596
4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 109058697
N-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide
CID 17473598

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide (CID 4143935) is 2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide is CCCCCCNS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide?
The InChIKey is MJWCQIFXVBOGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-2-3-4-5-14-22-27(25,26)19-12-10-18(11-13-19)23-20(24)15-16-6-8-17(21)9-7-16/h6-13,22H,2-5,14-15H2,1H3,(H,23,24).
What are the key properties of 2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide?
2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide has a molecular weight of 408.95 g/mol, XLogP of 4.38, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4143935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).