3-(phenylsulfamoyl)benzoyl chloride

C13H10ClNO3S — CID 22137852

IUPAC3-(phenylsulfamoyl)benzoyl chloride
SMILESO=C(Cl)c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C13H10ClNO3S/c14-13(16)10-5-4-8-12(9-10)19(17,18)15-11-6-2-1-3-7-11/h1-9,15H
InChIKeyBUJGIIUIXYHUQL-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.87
Rot. Bonds4

About 3-(phenylsulfamoyl)benzoyl chloride

3-(phenylsulfamoyl)benzoyl chloride (PubChem CID 22137852) has the molecular formula C13H10ClNO3S and a molecular weight of 295.75 g/mol. Its IUPAC name is 3-(phenylsulfamoyl)benzoyl chloride.

Molecular Properties

Compound Name3-(phenylsulfamoyl)benzoyl chloride
PubChem CID22137852
Molecular FormulaC13H10ClNO3S
Molecular Weight295.75 g/mol
Exact Mass295.01
IUPAC Name3-(phenylsulfamoyl)benzoyl chloride
SMILESO=C(Cl)c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C13H10ClNO3S/c14-13(16)10-5-4-8-12(9-10)19(17,18)15-11-6-2-1-3-7-11/h1-9,15H
InChIKeyBUJGIIUIXYHUQL-UHFFFAOYSA-N
XLogP2.87
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(phenylsulfamoyl)phenyl]prop-2-enoic acid
CID 134249060
3-[(3-iodophenyl)sulfamoyl]benzoic acid
CID 25335262
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
ethyl 3-(phenylsulfamoyl)benzoate
CID 100552593
3-(phenylsulfamoyl)benzenecarboximidamide
CID 71451445
3-[(3-carboxylatophenyl)sulfonylamino]benzoate
CID 4517286
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
N,3-diphenylbenzenesulfonamide
CID 54513984
3-(benzamidocarbamoyl)-N-(4-bromophenyl)benzenesulfonamide
CID 27555836
3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate
CID 7573875
methyl 2-[[3-(phenylsulfamoyl)benzoyl]amino]acetate
CID 163355301
N-(2-methoxyethyl)-3-(phenylsulfamoyl)benzamide
CID 19257386

Frequently Asked Questions

What is the IUPAC name of 3-(phenylsulfamoyl)benzoyl chloride?
The IUPAC name of 3-(phenylsulfamoyl)benzoyl chloride (CID 22137852) is 3-(phenylsulfamoyl)benzoyl chloride.
What is the SMILES notation for 3-(phenylsulfamoyl)benzoyl chloride?
The canonical SMILES for 3-(phenylsulfamoyl)benzoyl chloride is O=C(Cl)c1cccc(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of 3-(phenylsulfamoyl)benzoyl chloride?
The InChIKey is BUJGIIUIXYHUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3S/c14-13(16)10-5-4-8-12(9-10)19(17,18)15-11-6-2-1-3-7-11/h1-9,15H.
What are the key properties of 3-(phenylsulfamoyl)benzoyl chloride?
3-(phenylsulfamoyl)benzoyl chloride has a molecular weight of 295.75 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylsulfamoyl)benzoyl chloride is sourced from PubChem (CID 22137852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).