4-[ethyl(phenyl)sulfamoyl]butanoyl chloride

C12H16ClNO3S — CID 28704851

IUPAC4-[ethyl(phenyl)sulfamoyl]butanoyl chloride
SMILESCCN(c1ccccc1)S(=O)(=O)CCCC(=O)Cl
InChIInChI=1S/C12H16ClNO3S/c1-2-14(11-7-4-3-5-8-11)18(16,17)10-6-9-12(13)15/h3-5,7-8H,2,6,9-10H2,1H3
InChIKeyLUKINIAKQMTJHN-UHFFFAOYSA-N
MW289.78 g/mol
LogP2.39
Rot. Bonds7

About 4-[ethyl(phenyl)sulfamoyl]butanoyl chloride

4-[ethyl(phenyl)sulfamoyl]butanoyl chloride (PubChem CID 28704851) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 4-[ethyl(phenyl)sulfamoyl]butanoyl chloride.

Molecular Properties

Compound Name4-[ethyl(phenyl)sulfamoyl]butanoyl chloride
PubChem CID28704851
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name4-[ethyl(phenyl)sulfamoyl]butanoyl chloride
SMILESCCN(c1ccccc1)S(=O)(=O)CCCC(=O)Cl
InChIInChI=1S/C12H16ClNO3S/c1-2-14(11-7-4-3-5-8-11)18(16,17)10-6-9-12(13)15/h3-5,7-8H,2,6,9-10H2,1H3
InChIKeyLUKINIAKQMTJHN-UHFFFAOYSA-N
XLogP2.39
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[butyl(phenyl)sulfamoyl]butanoic acid
CID 43619879
4-[ethyl-(3-methylphenyl)sulfamoyl]butanoic acid
CID 28513979
4-cyano-N-ethyl-N-phenylbutane-1-sulfonamide
CID 28704824
2-(N-(4-methoxy-4-oxobutyl)sulfonylanilino)acetic acid
CID 61457220
N-butyl-3-chloro-N-phenylpropane-1-sulfonamide
CID 43654480
3-[N-(2-methylsulfonylethylsulfonyl)anilino]propanoic acid
CID 63245389
chlorobenzene;pentanoyl chloride
CID 174976374
ethyl 2-(N-sulfamoylanilino)acetate
CID 67139831
ethyl 2-(N-methylsulfonylanilino)acetate
CID 5001910
2-[ethyl(phenyl)sulfamoyl]benzoic acid
CID 18615557
5-(dimethylsulfamoyl)pentanoyl chloride
CID 28704865
3-(N-butylsulfonyl-4-methylanilino)propanoic acid
CID 60827496

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(phenyl)sulfamoyl]butanoyl chloride?
The IUPAC name of 4-[ethyl(phenyl)sulfamoyl]butanoyl chloride (CID 28704851) is 4-[ethyl(phenyl)sulfamoyl]butanoyl chloride.
What is the SMILES notation for 4-[ethyl(phenyl)sulfamoyl]butanoyl chloride?
The canonical SMILES for 4-[ethyl(phenyl)sulfamoyl]butanoyl chloride is CCN(c1ccccc1)S(=O)(=O)CCCC(=O)Cl.
What is the InChIKey of 4-[ethyl(phenyl)sulfamoyl]butanoyl chloride?
The InChIKey is LUKINIAKQMTJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-2-14(11-7-4-3-5-8-11)18(16,17)10-6-9-12(13)15/h3-5,7-8H,2,6,9-10H2,1H3.
What are the key properties of 4-[ethyl(phenyl)sulfamoyl]butanoyl chloride?
4-[ethyl(phenyl)sulfamoyl]butanoyl chloride has a molecular weight of 289.78 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(phenyl)sulfamoyl]butanoyl chloride is sourced from PubChem (CID 28704851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).