4-(butylsulfamoyl)benzoyl chloride

C11H14ClNO3S — CID 91736822

IUPAC4-(butylsulfamoyl)benzoyl chloride
SMILESCCCCNS(=O)(=O)c1ccc(C(=O)Cl)cc1
InChIInChI=1S/C11H14ClNO3S/c1-2-3-8-13-17(15,16)10-6-4-9(5-7-10)11(12)14/h4-7,13H,2-3,8H2,1H3
InChIKeyXQFINXCKFGMFFK-UHFFFAOYSA-N
MW275.76 g/mol
LogP2.14
Rot. Bonds6

About 4-(butylsulfamoyl)benzoyl chloride

4-(butylsulfamoyl)benzoyl chloride (PubChem CID 91736822) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 4-(butylsulfamoyl)benzoyl chloride.

Molecular Properties

Compound Name4-(butylsulfamoyl)benzoyl chloride
PubChem CID91736822
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name4-(butylsulfamoyl)benzoyl chloride
SMILESCCCCNS(=O)(=O)c1ccc(C(=O)Cl)cc1
InChIInChI=1S/C11H14ClNO3S/c1-2-3-8-13-17(15,16)10-6-4-9(5-7-10)11(12)14/h4-7,13H,2-3,8H2,1H3
InChIKeyXQFINXCKFGMFFK-UHFFFAOYSA-N
XLogP2.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloroacetyl)-N-pentylbenzenesulfonamide
CID 82165572
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
3-(butylsulfamoyl)-4-chlorobenzoyl chloride
CID 21316600
4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 109058697
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide
CID 109058758
4-(butylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 109058705
N-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059171
N-butyl-4-ethenylbenzenesulfonamide
CID 20722248
N-butyl-4-cyanobenzenesulfonamide
CID 3555489
4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109058795
N-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide
CID 109061392

Frequently Asked Questions

What is the IUPAC name of 4-(butylsulfamoyl)benzoyl chloride?
The IUPAC name of 4-(butylsulfamoyl)benzoyl chloride (CID 91736822) is 4-(butylsulfamoyl)benzoyl chloride.
What is the SMILES notation for 4-(butylsulfamoyl)benzoyl chloride?
The canonical SMILES for 4-(butylsulfamoyl)benzoyl chloride is CCCCNS(=O)(=O)c1ccc(C(=O)Cl)cc1.
What is the InChIKey of 4-(butylsulfamoyl)benzoyl chloride?
The InChIKey is XQFINXCKFGMFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-2-3-8-13-17(15,16)10-6-4-9(5-7-10)11(12)14/h4-7,13H,2-3,8H2,1H3.
What are the key properties of 4-(butylsulfamoyl)benzoyl chloride?
4-(butylsulfamoyl)benzoyl chloride has a molecular weight of 275.76 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylsulfamoyl)benzoyl chloride is sourced from PubChem (CID 91736822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).