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N-[3-amino-3-(4-chlorophenyl)propyl]methanesulfonamide

HCID 57750326
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CS(=O)(=O)NCCC(N)c1ccc(Cl)cc1
InChIKey
LOTCXTMPBNEGQX-UHFFFAOYSA-N
Molecular formula
C10H15ClN2O2S
Average molar mass
262.76 g/mol
Monoisotopic mass
262.0542766

Names & identifiers

Preferred name
N-[3-amino-3-(4-chlorophenyl)propyl]methanesulfonamide
IUPAC
N-[3-amino-3-(4-chlorophenyl)propyl]methanesulfonamide

Names & synonyms

N-[3-amino-3-(4-chlorophenyl)propyl]methanesulfonamideN-(3-amino-3-(4-chlorophenyl)propyl)methanesulfonamide1143535-84-5SCHEMBL390688LOTCXTMPBNEGQX-UHFFFAOYSA-NDB-335256

Database identifiers

PubChem CID
57750326

Properties

Computed structural propertiesFilling in

XLogP
0.9
Topological polar surface area
80.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
16
Formal charge
0
Complexity
294

Related reactions

3 records
New reaction record
HRID 423123 reaction equation
HRID 423123As productuspto-grants-2012_01
HRID 423124 reaction equation
HRID 423124As reactantuspto-grants-2012_01
HRID 2337983 reaction equation
HRID 2337983As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes