N-[4-(benzylsulfamoyl)phenyl]-4-chlorobutanamide

C17H19ClN2O3S — CID 17160967

IUPACN-[4-(benzylsulfamoyl)phenyl]-4-chlorobutanamide
SMILESO=C(CCCCl)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H19ClN2O3S/c18-12-4-7-17(21)20-15-8-10-16(11-9-15)24(22,23)19-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,19H,4,7,12-13H2,(H,20,21)
InChIKeyVOOVAACWELJGPB-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.12
Rot. Bonds8

About N-[4-(benzylsulfamoyl)phenyl]-4-chlorobutanamide

N-[4-(benzylsulfamoyl)phenyl]-4-chlorobutanamide (PubChem CID 17160967) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-[4-(benzylsulfamoyl)phenyl]-4-chlorobutanamide.

Molecular Properties

Compound NameN-[4-(benzylsulfamoyl)phenyl]-4-chlorobutanamide
PubChem CID17160967
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-[4-(benzylsulfamoyl)phenyl]-4-chlorobutanamide
SMILESO=C(CCCCl)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H19ClN2O3S/c18-12-4-7-17(21)20-15-8-10-16(11-9-15)24(22,23)19-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,19H,4,7,12-13H2,(H,20,21)
InChIKeyVOOVAACWELJGPB-UHFFFAOYSA-N
XLogP3.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.12
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

4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide
CID 17160952
N-[4-(benzylsulfamoyl)phenyl]octanamide
CID 4958608
N-[4-(benzylsulfamoyl)phenyl]-3-(2-chlorophenyl)propanamide
CID 17178995
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17145886
3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 126246447
2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 126204320
1-[4-(benzylsulfamoyl)phenyl]-3-phenylthiourea
CID 4928890
N-[4-(benzylsulfamoyl)phenyl]-3-phenylprop-2-enamide
CID 4928891
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830
N-[4-(tert-butylsulfamoyl)phenyl]-4-phenylbutanamide
CID 1293342
N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide
CID 54790596

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-4-chlorobutanamide?
The IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-4-chlorobutanamide (CID 17160967) is N-[4-(benzylsulfamoyl)phenyl]-4-chlorobutanamide.
What is the SMILES notation for N-[4-(benzylsulfamoyl)phenyl]-4-chlorobutanamide?
The canonical SMILES for N-[4-(benzylsulfamoyl)phenyl]-4-chlorobutanamide is O=C(CCCCl)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-[4-(benzylsulfamoyl)phenyl]-4-chlorobutanamide?
The InChIKey is VOOVAACWELJGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c18-12-4-7-17(21)20-15-8-10-16(11-9-15)24(22,23)19-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,19H,4,7,12-13H2,(H,20,21).
What are the key properties of N-[4-(benzylsulfamoyl)phenyl]-4-chlorobutanamide?
N-[4-(benzylsulfamoyl)phenyl]-4-chlorobutanamide has a molecular weight of 366.87 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylsulfamoyl)phenyl]-4-chlorobutanamide is sourced from PubChem (CID 17160967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).