(E)-N-(2-aminocyclohexyl)-2-(4-chlorophenyl)ethenesulfonamide

C14H19ClN2O2S — CID 61038242

IUPAC(E)-N-(2-aminocyclohexyl)-2-(4-chlorophenyl)ethenesulfonamide
SMILESNC1CCCCC1NS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2S/c15-12-7-5-11(6-8-12)9-10-20(18,19)17-14-4-2-1-3-13(14)16/h5-10,13-14,17H,1-4,16H2/b10-9+
InChIKeyPXALBBDUFBAEAH-MDZDMXLPSA-N
MW314.84 g/mol
LogP2.50
Rot. Bonds4

About (E)-N-(2-aminocyclohexyl)-2-(4-chlorophenyl)ethenesulfonamide

(E)-N-(2-aminocyclohexyl)-2-(4-chlorophenyl)ethenesulfonamide (PubChem CID 61038242) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is (E)-N-(2-aminocyclohexyl)-2-(4-chlorophenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(2-aminocyclohexyl)-2-(4-chlorophenyl)ethenesulfonamide
PubChem CID61038242
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC Name(E)-N-(2-aminocyclohexyl)-2-(4-chlorophenyl)ethenesulfonamide
SMILESNC1CCCCC1NS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2S/c15-12-7-5-11(6-8-12)9-10-20(18,19)17-14-4-2-1-3-13(14)16/h5-10,13-14,17H,1-4,16H2/b10-9+
InChIKeyPXALBBDUFBAEAH-MDZDMXLPSA-N
XLogP2.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-2-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]ethenesulfonamide
CID 104922321
N-(2-ethylcyclohexyl)-2-(4-methylphenyl)ethenesulfonamide
CID 76866069
(Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide
CID 99918665
N-[(1R,2R)-2-aminocyclohexyl]-2,6-dichlorobenzenesulfonamide
CID 93453493
(E)-2-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)ethenesulfonamide
CID 55906361
(Z)-N-cyclohexyl-2-phenylethenesulfonamide
CID 2458985
N-[(1R,2R)-2-aminocyclohexyl]-2,3,4-trifluorobenzenesulfonamide
CID 93453513
N-(2-aminocyclohexyl)-4-chloro-2-nitrobenzenesulfonamide
CID 61037370
1-[2-(4-chlorophenyl)ethenylsulfonyl]-3-methylpiperidin-4-amine
CID 79868256
(E)-2-(4-chlorophenyl)-N-[(3-hydroxycyclohexyl)methyl]ethenesulfonamide
CID 103835785
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-hydroxybutan-2-yl)ethenesulfonamide
CID 43501666

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminocyclohexyl)-2-(4-chlorophenyl)ethenesulfonamide?
The IUPAC name of (E)-N-(2-aminocyclohexyl)-2-(4-chlorophenyl)ethenesulfonamide (CID 61038242) is (E)-N-(2-aminocyclohexyl)-2-(4-chlorophenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-(2-aminocyclohexyl)-2-(4-chlorophenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-(2-aminocyclohexyl)-2-(4-chlorophenyl)ethenesulfonamide is NC1CCCCC1NS(=O)(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-N-(2-aminocyclohexyl)-2-(4-chlorophenyl)ethenesulfonamide?
The InChIKey is PXALBBDUFBAEAH-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c15-12-7-5-11(6-8-12)9-10-20(18,19)17-14-4-2-1-3-13(14)16/h5-10,13-14,17H,1-4,16H2/b10-9+.
What are the key properties of (E)-N-(2-aminocyclohexyl)-2-(4-chlorophenyl)ethenesulfonamide?
(E)-N-(2-aminocyclohexyl)-2-(4-chlorophenyl)ethenesulfonamide has a molecular weight of 314.84 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminocyclohexyl)-2-(4-chlorophenyl)ethenesulfonamide is sourced from PubChem (CID 61038242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).