1-(2-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide

C14H20ClNO3S — CID 19916358

IUPAC1-(2-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide
SMILESCN([C@@H]1CCCC[C@H]1O)S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H20ClNO3S/c1-16(13-8-4-5-9-14(13)17)20(18,19)10-11-6-2-3-7-12(11)15/h2-3,6-7,13-14,17H,4-5,8-10H2,1H3/t13-,14-/m1/s1
InChIKeyBNSZJEMBFCJDJV-ZIAGYGMSSA-N
MW317.84 g/mol
LogP2.41
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide

1-(2-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide (PubChem CID 19916358) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide
PubChem CID19916358
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name1-(2-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide
SMILESCN([C@@H]1CCCC[C@H]1O)S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H20ClNO3S/c1-16(13-8-4-5-9-14(13)17)20(18,19)10-11-6-2-3-7-12(11)15/h2-3,6-7,13-14,17H,4-5,8-10H2,1H3/t13-,14-/m1/s1
InChIKeyBNSZJEMBFCJDJV-ZIAGYGMSSA-N
XLogP2.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide (CID 19916358) is 1-(2-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide is CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide?
The InChIKey is BNSZJEMBFCJDJV-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-16(13-8-4-5-9-14(13)17)20(18,19)10-11-6-2-3-7-12(11)15/h2-3,6-7,13-14,17H,4-5,8-10H2,1H3/t13-,14-/m1/s1.
What are the key properties of 1-(2-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide?
1-(2-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide has a molecular weight of 317.84 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 19916358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).