5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide

C13H18ClNO3S — CID 95984034

IUPAC5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C13H18ClNO3S/c1-9-5-6-10(14)7-13(9)19(17,18)15-11-3-2-4-12(16)8-11/h5-7,11-12,15-16H,2-4,8H2,1H3/t11-,12-/m0/s1
InChIKeyREEPYZLYCHVKSX-RYUDHWBXSA-N
MW303.81 g/mol
LogP2.23
Rot. Bonds3

About 5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide

5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide (PubChem CID 95984034) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide
PubChem CID95984034
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C13H18ClNO3S/c1-9-5-6-10(14)7-13(9)19(17,18)15-11-3-2-4-12(16)8-11/h5-7,11-12,15-16H,2-4,8H2,1H3/t11-,12-/m0/s1
InChIKeyREEPYZLYCHVKSX-RYUDHWBXSA-N
XLogP2.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-hydroxy-3-phenylpropyl)-2-methylbenzenesulfonamide
CID 56765296
3-chloro-4-fluoro-N-(3-hydroxycyclohexyl)benzenesulfonamide
CID 71786249
5-chloro-N-(4-hydroxycyclohexyl)-2-(trifluoromethyl)benzenesulfonamide
CID 68632001
3-chloro-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913072
3-chloro-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913280
2-chloro-4-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzenesulfonamide
CID 84591517
3-chloro-4-fluoro-N-[(1R,3S)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984025
3-chloro-4-fluoro-N-[(1S,3S)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984026
3-chloro-4-fluoro-N-[(1R,3R)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984027
3-chloro-4-fluoro-N-[(1S,3R)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984028
3-chloro-4-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103815167
3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103815226

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide (CID 95984034) is 5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCC[C@H](O)C1.
What is the InChIKey of 5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide?
The InChIKey is REEPYZLYCHVKSX-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-9-5-6-10(14)7-13(9)19(17,18)15-11-3-2-4-12(16)8-11/h5-7,11-12,15-16H,2-4,8H2,1H3/t11-,12-/m0/s1.
What are the key properties of 5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide?
5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide has a molecular weight of 303.81 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 95984034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).