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2-(4-Chlorobenzenesulfonamido)cyclohexane-1-carboxylic acid

HCID 22019698
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=C(O)C1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1
InChIKey
KOFLODYJSIMXGT-UHFFFAOYSA-N
Molecular formula
C13H16ClNO4S
Average molar mass
317.79 g/mol
Monoisotopic mass
317.0488569

Names & identifiers

Preferred name
2-(4-Chlorobenzenesulfonamido)cyclohexane-1-carboxylic acid
IUPAC
2-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid

Names & synonyms

1462314-27-7SCHEMBL63828112-(4-CHLOROBENZENESULFONAMIDO)CYCLOHEXANE-1-CARBOXYLIC ACIDAKOS014145982

Database identifiers

PubChem CID
22019698

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
91.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
20
Formal charge
0
Complexity
440

Related reactions

3 records
New reaction record
HRID 188503 reaction equation
HRID 188503As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 310918 reaction equation
HRID 310918As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 814240 reaction equation
HRID 814240As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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