Basic information
- CAS
963-03-1- Standard SMILES
O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(Cl)cc1- InChIKey
TYZHJGCYLYXPSB-UHFFFAOYSA-N- Molecular formula
- C13H17ClN2O3S
- Average molar mass
- 316.8 g/mol
- Monoisotopic mass
- 316.0648413
Names & identifiers
- Preferred name
- 4-Chloro-N-((cyclohexylamino)carbonyl)benzenesulfonamide
- IUPAC
- 1-(4-chlorophenyl)sulfonyl-3-cyclohexylurea
Names & synonyms
Chlorcyclohexamide963-03-11-((p-Chlorophenyl)sulfonyl)-3-cyclohexylureaBenzenesulfonamide, 4-chloro-N-((cyclohexylamino)carbonyl)-DTXSID20877236Benzenesulfonamide, 4-chloro-N-[(cyclohexylamino)carbonyl]-4-Chloro-N-((cyclohexylamino)carbonyl)benzenesulfonamide4-chloro-N-[(cyclohexylamino)carbonyl]benzenesulfonamideRefChem:1070519DTXCID401015317114-261-4Chlorhexamide
Show more names
1-(4-chlorophenyl)sulfonyl-3-cyclohexylureachlorohexamideS5SZ3347W14-chloro-n-(cyclohexylcarbamoyl)benzenesulfonamideChlorocyclamide-RChlorobenzenesulfonylcyclohexylcarbamideBRN 2221686K 694
Database identifiers
- CAS
963-03-1- PubChem CID
- 70403
- DTXSID
DTXSID20877236- UNII
- S5SZ3347W1
- EC Number
- 114-261-4
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 421
Experimental & physicochemical properties
LogP4.32
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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