2,3-dichloro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide

C13H17Cl2NO3S — CID 102635648

IUPAC2,3-dichloro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1O)S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO3S/c1-16(10-6-2-3-7-11(10)17)20(18,19)12-8-4-5-9(14)13(12)15/h4-5,8,10-11,17H,2-3,6-7H2,1H3
InChIKeyCEJGMORZGHELRW-UHFFFAOYSA-N
MW338.26 g/mol
LogP2.92
Rot. Bonds3

About 2,3-dichloro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide

2,3-dichloro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide (PubChem CID 102635648) has the molecular formula C13H17Cl2NO3S and a molecular weight of 338.26 g/mol. Its IUPAC name is 2,3-dichloro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
PubChem CID102635648
Molecular FormulaC13H17Cl2NO3S
Molecular Weight338.26 g/mol
Exact Mass337.03
IUPAC Name2,3-dichloro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1O)S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO3S/c1-16(10-6-2-3-7-11(10)17)20(18,19)12-8-4-5-9(14)13(12)15/h4-5,8,10-11,17H,2-3,6-7H2,1H3
InChIKeyCEJGMORZGHELRW-UHFFFAOYSA-N
XLogP2.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzenesulfonamide
CID 98557309
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-nitrobenzenesulfonamide
CID 19916369
N-[(1S,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 95706282
N-[(1S,2R)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 100581918
N-[(1R,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 95706281
3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 112823940
3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635668
3-amino-5-chloro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102631244
2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 110726799
6-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide
CID 102631872
5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102635699
3-chloro-4-cyano-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102632222

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide (CID 102635648) is 2,3-dichloro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide is CN(C1CCCCC1O)S(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide?
The InChIKey is CEJGMORZGHELRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3S/c1-16(10-6-2-3-7-11(10)17)20(18,19)12-8-4-5-9(14)13(12)15/h4-5,8,10-11,17H,2-3,6-7H2,1H3.
What are the key properties of 2,3-dichloro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide?
2,3-dichloro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide has a molecular weight of 338.26 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 102635648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).