(E)-2-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]ethenesulfonamide

C14H18ClNO3S — CID 104922321

IUPAC(E)-2-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H18ClNO3S/c15-12-7-5-11(6-8-12)9-10-20(18,19)16-13-3-1-2-4-14(13)17/h5-10,13-14,16-17H,1-4H2/b10-9+/t13-,14-/m1/s1
InChIKeySGWRYIZAYAZZEY-NPUYYSGSSA-N
MW315.82 g/mol
LogP2.53
Rot. Bonds4

About (E)-2-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]ethenesulfonamide

(E)-2-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]ethenesulfonamide (PubChem CID 104922321) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]ethenesulfonamide
PubChem CID104922321
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name(E)-2-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H18ClNO3S/c15-12-7-5-11(6-8-12)9-10-20(18,19)16-13-3-1-2-4-14(13)17/h5-10,13-14,16-17H,1-4H2/b10-9+/t13-,14-/m1/s1
InChIKeySGWRYIZAYAZZEY-NPUYYSGSSA-N
XLogP2.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-(2-aminocyclohexyl)-2-(4-chlorophenyl)ethenesulfonamide
CID 61038242
(E)-2-(4-chlorophenyl)-N-[(3-hydroxycyclohexyl)methyl]ethenesulfonamide
CID 103835785
N-(2-ethylcyclohexyl)-2-(4-methylphenyl)ethenesulfonamide
CID 76866069
2-(4-chlorophenyl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]ethenesulfonamide
CID 91183282
(E)-2-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)ethenesulfonamide
CID 55906361
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-cyclopropylpropanoic acid
CID 43361670
(Z)-N-cyclohexyl-2-phenylethenesulfonamide
CID 2458985
(Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide
CID 99918665
N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylacetohydrazide
CID 8500743
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
(E)-2-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)ethenesulfonamide
CID 43501666
(E)-2-(4-chlorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]ethenesulfonamide
CID 104981974

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]ethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]ethenesulfonamide (CID 104922321) is (E)-2-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]ethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]ethenesulfonamide is O=S(=O)(/C=C/c1ccc(Cl)cc1)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]ethenesulfonamide?
The InChIKey is SGWRYIZAYAZZEY-NPUYYSGSSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c15-12-7-5-11(6-8-12)9-10-20(18,19)16-13-3-1-2-4-14(13)17/h5-10,13-14,16-17H,1-4H2/b10-9+/t13-,14-/m1/s1.
What are the key properties of (E)-2-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]ethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]ethenesulfonamide has a molecular weight of 315.82 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]ethenesulfonamide is sourced from PubChem (CID 104922321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).