2,5-dichloro-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzenesulfonamide

C13H17Cl2NO3S — CID 98557309

IUPAC2,5-dichloro-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzenesulfonamide
SMILESCN([C@H]1CCCC[C@H]1O)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NO3S/c1-16(11-4-2-3-5-12(11)17)20(18,19)13-8-9(14)6-7-10(13)15/h6-8,11-12,17H,2-5H2,1H3/t11-,12+/m0/s1
InChIKeySESBKUBHSBNBDL-NWDGAFQWSA-N
MW338.26 g/mol
LogP2.92
Rot. Bonds3

About 2,5-dichloro-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzenesulfonamide

2,5-dichloro-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzenesulfonamide (PubChem CID 98557309) has the molecular formula C13H17Cl2NO3S and a molecular weight of 338.26 g/mol. Its IUPAC name is 2,5-dichloro-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzenesulfonamide
PubChem CID98557309
Molecular FormulaC13H17Cl2NO3S
Molecular Weight338.26 g/mol
Exact Mass337.03
IUPAC Name2,5-dichloro-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzenesulfonamide
SMILESCN([C@H]1CCCC[C@H]1O)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NO3S/c1-16(11-4-2-3-5-12(11)17)20(18,19)13-8-9(14)6-7-10(13)15/h6-8,11-12,17H,2-5H2,1H3/t11-,12+/m0/s1
InChIKeySESBKUBHSBNBDL-NWDGAFQWSA-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

2,3-dichloro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635648
3-amino-5-chloro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102631244
N-[(1S,2R)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 100581918
N-[(1R,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 95706281
N-[(1S,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 95706282
4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635766
N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 1315364
2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118129
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-nitrobenzenesulfonamide
CID 19916369
2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298034
3-chloro-4-cyano-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102632222
2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide
CID 39116250

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzenesulfonamide (CID 98557309) is 2,5-dichloro-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzenesulfonamide is CN([C@H]1CCCC[C@H]1O)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzenesulfonamide?
The InChIKey is SESBKUBHSBNBDL-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H17Cl2NO3S/c1-16(11-4-2-3-5-12(11)17)20(18,19)13-8-9(14)6-7-10(13)15/h6-8,11-12,17H,2-5H2,1H3/t11-,12+/m0/s1.
What are the key properties of 2,5-dichloro-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzenesulfonamide?
2,5-dichloro-N-[(1S,2R)-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 2,5-dichloro-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 98557309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).