N-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide

C14H21ClN2O3S — CID 107849118

IUPACN-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCCCCCCl)cc1
InChIInChI=1S/C14H21ClN2O3S/c1-12(18)17-13-6-8-14(9-7-13)21(19,20)16-11-5-3-2-4-10-15/h6-9,16H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyFVJZRVSNZKEMDV-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.72
Rot. Bonds9

About N-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide

N-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide (PubChem CID 107849118) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is N-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide
PubChem CID107849118
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC NameN-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCCCCCCl)cc1
InChIInChI=1S/C14H21ClN2O3S/c1-12(18)17-13-6-8-14(9-7-13)21(19,20)16-11-5-3-2-4-10-15/h6-9,16H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyFVJZRVSNZKEMDV-UHFFFAOYSA-N
XLogP2.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride
CID 120583378
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
CID 43602837
4-[(4-acetamidophenyl)sulfonylamino]butanoate
CID 2385404
N-[4-(hex-5-ynylsulfamoyl)phenyl]acetamide
CID 103756998
4-bromo-N-(5-chloropentyl)benzenesulfonamide
CID 107322747
N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide
CID 3728268
N-[4-[3-[dimethoxy(methyl)silyl]propylsulfamoyl]phenyl]acetamide
CID 58129736
2,2,2-trichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 4105692
2,2-dichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 3354024
N-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide
CID 110288838
N-[4-[3-(4-chloro-5-methylpyrazol-1-yl)propylsulfamoyl]phenyl]acetamide
CID 22207442
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide (CID 107849118) is N-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCCCCCCl)cc1.
What is the InChIKey of N-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide?
The InChIKey is FVJZRVSNZKEMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-12(18)17-13-6-8-14(9-7-13)21(19,20)16-11-5-3-2-4-10-15/h6-9,16H,2-5,10-11H2,1H3,(H,17,18).
What are the key properties of N-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide?
N-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide has a molecular weight of 332.85 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 107849118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).