4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide

C18H21ClN2O3S — CID 17160952

IUPAC4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide
SMILESO=C(CCCCl)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C18H21ClN2O3S/c19-13-4-7-18(22)21-16-8-10-17(11-9-16)25(23,24)20-14-12-15-5-2-1-3-6-15/h1-3,5-6,8-11,20H,4,7,12-14H2,(H,21,22)
InChIKeyUCOVNMOAGXQHGY-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.17
Rot. Bonds9

About 4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide

4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide (PubChem CID 17160952) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide
PubChem CID17160952
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide
SMILESO=C(CCCCl)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C18H21ClN2O3S/c19-13-4-7-18(22)21-16-8-10-17(11-9-16)25(23,24)20-14-12-15-5-2-1-3-6-15/h1-3,5-6,8-11,20H,4,7,12-14H2,(H,21,22)
InChIKeyUCOVNMOAGXQHGY-UHFFFAOYSA-N
XLogP3.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(benzylsulfamoyl)phenyl]-4-chlorobutanamide
CID 17160967
N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide
CID 54790596
3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 17192480
4-oxo-4-phenyl-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide
CID 108807364
3-(2-chlorophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 108802323
N-[3-oxo-3-[4-(2-phenylethylsulfamoyl)anilino]propyl]benzamide
CID 17154573
2-phenoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5187425
2-cyano-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 168522081
2-(2-methylphenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 17145873
3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 108807272
2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5173418
4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4110983

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide?
The IUPAC name of 4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide (CID 17160952) is 4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide is O=C(CCCCl)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide?
The InChIKey is UCOVNMOAGXQHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c19-13-4-7-18(22)21-16-8-10-17(11-9-16)25(23,24)20-14-12-15-5-2-1-3-6-15/h1-3,5-6,8-11,20H,4,7,12-14H2,(H,21,22).
What are the key properties of 4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide?
4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide has a molecular weight of 380.90 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 17160952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).