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2-[(4-Chlorophenyl)sulfonylamino]-4-methylpentanamide

HCID 3564753
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)CC(NS(=O)(=O)c1ccc(Cl)cc1)C(N)=O
InChIKey
KHWZZRKECVSOOQ-UHFFFAOYSA-N
Molecular formula
C12H17ClN2O3S
Average molar mass
304.79 g/mol

Names & identifiers

Preferred name
2-[(4-Chlorophenyl)sulfonylamino]-4-methylpentanamide
IUPAC
2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanamide

Names & synonyms

SCHEMBL1879215

Database identifiers

PubChem CID
3564753

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
97.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
19
Formal charge
0
Complexity
398

Related reactions

6 records
New reaction record
HRID 112805 reaction equation
HRID 112805As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 196765 reaction equation
HRID 196765As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 319780 reaction equation
HRID 319780As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1129649 reaction equation
HRID 1129649As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1544835 reaction equation
HRID 1544835As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2315717 reaction equation
HRID 2315717As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes