4-(nonylcarbamoyl)benzenesulfonyl chloride

C16H24ClNO3S — CID 110823481

IUPAC4-(nonylcarbamoyl)benzenesulfonyl chloride
SMILESCCCCCCCCCNC(=O)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C16H24ClNO3S/c1-2-3-4-5-6-7-8-13-18-16(19)14-9-11-15(12-10-14)22(17,20)21/h9-12H,2-8,13H2,1H3,(H,18,19)
InChIKeyOEQJWVIKHHPYLC-UHFFFAOYSA-N
MW345.89 g/mol
LogP4.09
Rot. Bonds10

About 4-(nonylcarbamoyl)benzenesulfonyl chloride

4-(nonylcarbamoyl)benzenesulfonyl chloride (PubChem CID 110823481) has the molecular formula C16H24ClNO3S and a molecular weight of 345.89 g/mol. Its IUPAC name is 4-(nonylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(nonylcarbamoyl)benzenesulfonyl chloride
PubChem CID110823481
Molecular FormulaC16H24ClNO3S
Molecular Weight345.89 g/mol
Exact Mass345.12
IUPAC Name4-(nonylcarbamoyl)benzenesulfonyl chloride
SMILESCCCCCCCCCNC(=O)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C16H24ClNO3S/c1-2-3-4-5-6-7-8-13-18-16(19)14-9-11-15(12-10-14)22(17,20)21/h9-12H,2-8,13H2,1H3,(H,18,19)
InChIKeyOEQJWVIKHHPYLC-UHFFFAOYSA-N
XLogP4.09
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.89
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(methylsulfamoyl)-N-nonylbenzamide
CID 46549901
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
N-decyl-4-hydroxybenzamide
CID 15277871
CID 131885807
CID 131885807
N-dodecyl-4-[[(4-methylsulfonylphenyl)methylamino]methyl]benzamide
CID 69291989
N-hexyl-4-(phenylsulfamoyl)benzamide
CID 32646547
N-hexylpyridine-4-carboxamide
CID 3423732
4-bromo-N-hexadecylbenzamide
CID 54791037
4-tert-butyl-N-nonylbenzamide
CID 4642451
N-decyl-4-sulfanylbenzamide
CID 107032455
4-(4,4,4-trifluorobutylcarbamoyl)benzenesulfonyl chloride
CID 115519611

Frequently Asked Questions

What is the IUPAC name of 4-(nonylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 4-(nonylcarbamoyl)benzenesulfonyl chloride (CID 110823481) is 4-(nonylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(nonylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(nonylcarbamoyl)benzenesulfonyl chloride is CCCCCCCCCNC(=O)c1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-(nonylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is OEQJWVIKHHPYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3S/c1-2-3-4-5-6-7-8-13-18-16(19)14-9-11-15(12-10-14)22(17,20)21/h9-12H,2-8,13H2,1H3,(H,18,19).
What are the key properties of 4-(nonylcarbamoyl)benzenesulfonyl chloride?
4-(nonylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 345.89 g/mol, XLogP of 4.09, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(nonylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 110823481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).