(E)-2-(4-chlorophenyl)-N-(1-piperidin-3-ylcyclopropyl)ethenesulfonamide

C16H21ClN2O2S — CID 166408802

IUPAC(E)-2-(4-chlorophenyl)-N-(1-piperidin-3-ylcyclopropyl)ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)NC1(C2CCCNC2)CC1
InChIInChI=1S/C16H21ClN2O2S/c17-15-5-3-13(4-6-15)7-11-22(20,21)19-16(8-9-16)14-2-1-10-18-12-14/h3-7,11,14,18-19H,1-2,8-10,12H2/b11-7+
InChIKeyPDIDOQOHMLKGHP-YRNVUSSQSA-N
MW340.88 g/mol
LogP2.76
Rot. Bonds5

About (E)-2-(4-chlorophenyl)-N-(1-piperidin-3-ylcyclopropyl)ethenesulfonamide

(E)-2-(4-chlorophenyl)-N-(1-piperidin-3-ylcyclopropyl)ethenesulfonamide (PubChem CID 166408802) has the molecular formula C16H21ClN2O2S and a molecular weight of 340.88 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-(1-piperidin-3-ylcyclopropyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-(1-piperidin-3-ylcyclopropyl)ethenesulfonamide
PubChem CID166408802
Molecular FormulaC16H21ClN2O2S
Molecular Weight340.88 g/mol
Exact Mass340.10
IUPAC Name(E)-2-(4-chlorophenyl)-N-(1-piperidin-3-ylcyclopropyl)ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)NC1(C2CCCNC2)CC1
InChIInChI=1S/C16H21ClN2O2S/c17-15-5-3-13(4-6-15)7-11-22(20,21)19-16(8-9-16)14-2-1-10-18-12-14/h3-7,11,14,18-19H,1-2,8-10,12H2/b11-7+
InChIKeyPDIDOQOHMLKGHP-YRNVUSSQSA-N
XLogP2.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-2-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethenesulfonamide
CID 106630787
(E)-2-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]ethenesulfonamide
CID 104922321
(E)-N-(2-aminocyclohexyl)-2-(4-chlorophenyl)ethenesulfonamide
CID 61038242
(E)-2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylethenesulfonamide
CID 60807810
1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102680781
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
(E)-N-(4-methylpiperidin-4-yl)-2-phenylethenesulfonamide
CID 114696836
(E)-2-(4-chlorophenyl)-N-[(3-hydroxycyclohexyl)methyl]ethenesulfonamide
CID 103835785
1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-2-yl]-N-methylmethanamine
CID 76990864
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-cyclopropylpropanoic acid
CID 43361670
[1-[2-(4-chlorophenyl)ethenylsulfonyl]-6-methylpiperidin-2-yl]methanamine
CID 77015502
(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide
CID 8716803

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-(1-piperidin-3-ylcyclopropyl)ethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-(1-piperidin-3-ylcyclopropyl)ethenesulfonamide (CID 166408802) is (E)-2-(4-chlorophenyl)-N-(1-piperidin-3-ylcyclopropyl)ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-(1-piperidin-3-ylcyclopropyl)ethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-(1-piperidin-3-ylcyclopropyl)ethenesulfonamide is O=S(=O)(/C=C/c1ccc(Cl)cc1)NC1(C2CCCNC2)CC1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-(1-piperidin-3-ylcyclopropyl)ethenesulfonamide?
The InChIKey is PDIDOQOHMLKGHP-YRNVUSSQSA-N. The full InChI is InChI=1S/C16H21ClN2O2S/c17-15-5-3-13(4-6-15)7-11-22(20,21)19-16(8-9-16)14-2-1-10-18-12-14/h3-7,11,14,18-19H,1-2,8-10,12H2/b11-7+.
What are the key properties of (E)-2-(4-chlorophenyl)-N-(1-piperidin-3-ylcyclopropyl)ethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-(1-piperidin-3-ylcyclopropyl)ethenesulfonamide has a molecular weight of 340.88 g/mol, XLogP of 2.76, 5 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-(1-piperidin-3-ylcyclopropyl)ethenesulfonamide is sourced from PubChem (CID 166408802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).