3-(benzoylsulfamoyl)-2-chlorobenzoyl chloride

C14H9Cl2NO4S — CID 175320389

IUPAC3-(benzoylsulfamoyl)-2-chlorobenzoyl chloride
SMILESO=C(NS(=O)(=O)c1cccc(C(=O)Cl)c1Cl)c1ccccc1
InChIInChI=1S/C14H9Cl2NO4S/c15-12-10(13(16)18)7-4-8-11(12)22(20,21)17-14(19)9-5-2-1-3-6-9/h1-8H,(H,17,19)
InChIKeyFWARLUJGFGGTED-UHFFFAOYSA-N
MW358.20 g/mol
LogP2.84
Rot. Bonds4

About 3-(benzoylsulfamoyl)-2-chlorobenzoyl chloride

3-(benzoylsulfamoyl)-2-chlorobenzoyl chloride (PubChem CID 175320389) has the molecular formula C14H9Cl2NO4S and a molecular weight of 358.20 g/mol. Its IUPAC name is 3-(benzoylsulfamoyl)-2-chlorobenzoyl chloride.

Molecular Properties

Compound Name3-(benzoylsulfamoyl)-2-chlorobenzoyl chloride
PubChem CID175320389
Molecular FormulaC14H9Cl2NO4S
Molecular Weight358.20 g/mol
Exact Mass356.96
IUPAC Name3-(benzoylsulfamoyl)-2-chlorobenzoyl chloride
SMILESO=C(NS(=O)(=O)c1cccc(C(=O)Cl)c1Cl)c1ccccc1
InChIInChI=1S/C14H9Cl2NO4S/c15-12-10(13(16)18)7-4-8-11(12)22(20,21)17-14(19)9-5-2-1-3-6-9/h1-8H,(H,17,19)
InChIKeyFWARLUJGFGGTED-UHFFFAOYSA-N
XLogP2.84
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-methylphenyl)sulfonylbenzamide
CID 139079289
N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide
CID 139085848
N-[2-[[2-(benzoylsulfamoyl)-4-chlorophenyl]diazenyl]-5-chlorophenyl]sulfonylbenzamide
CID 102339690
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
N-[2-(prop-2-enoylamino)phenyl]sulfonylbenzamide
CID 58715998
4-amino-N-(2-aminophenyl)sulfonylbenzamide
CID 166788216
2-amino-N-(2-aminophenyl)sulfonylbenzamide
CID 166788214
phenyl N-benzoylsulfamate
CID 165129244
N-(ethylsulfamoyl)benzamide
CID 154250118
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
4-chloro-N-quinolin-5-ylsulfonylbenzamide
CID 154806109
N-(2-chloro-3-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide
CID 75522734

Frequently Asked Questions

What is the IUPAC name of 3-(benzoylsulfamoyl)-2-chlorobenzoyl chloride?
The IUPAC name of 3-(benzoylsulfamoyl)-2-chlorobenzoyl chloride (CID 175320389) is 3-(benzoylsulfamoyl)-2-chlorobenzoyl chloride.
What is the SMILES notation for 3-(benzoylsulfamoyl)-2-chlorobenzoyl chloride?
The canonical SMILES for 3-(benzoylsulfamoyl)-2-chlorobenzoyl chloride is O=C(NS(=O)(=O)c1cccc(C(=O)Cl)c1Cl)c1ccccc1.
What is the InChIKey of 3-(benzoylsulfamoyl)-2-chlorobenzoyl chloride?
The InChIKey is FWARLUJGFGGTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO4S/c15-12-10(13(16)18)7-4-8-11(12)22(20,21)17-14(19)9-5-2-1-3-6-9/h1-8H,(H,17,19).
What are the key properties of 3-(benzoylsulfamoyl)-2-chlorobenzoyl chloride?
3-(benzoylsulfamoyl)-2-chlorobenzoyl chloride has a molecular weight of 358.20 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzoylsulfamoyl)-2-chlorobenzoyl chloride is sourced from PubChem (CID 175320389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).