(E)-2-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethenesulfonamide

C15H21ClN2O2S — CID 106630787

IUPAC(E)-2-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethenesulfonamide
SMILESCN(CC1CCCNC1)S(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2S/c1-18(12-14-3-2-9-17-11-14)21(19,20)10-8-13-4-6-15(16)7-5-13/h4-8,10,14,17H,2-3,9,11-12H2,1H3/b10-8+
InChIKeyWFGPYVAPKGVEBA-CSKARUKUSA-N
MW328.87 g/mol
LogP2.57
Rot. Bonds5

About (E)-2-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethenesulfonamide

(E)-2-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethenesulfonamide (PubChem CID 106630787) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.87 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethenesulfonamide
PubChem CID106630787
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.87 g/mol
Exact Mass328.10
IUPAC Name(E)-2-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethenesulfonamide
SMILESCN(CC1CCCNC1)S(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2S/c1-18(12-14-3-2-9-17-11-14)21(19,20)10-8-13-4-6-15(16)7-5-13/h4-8,10,14,17H,2-3,9,11-12H2,1H3/b10-8+
InChIKeyWFGPYVAPKGVEBA-CSKARUKUSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfonyl-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
CID 106636374
(E)-2-(4-chlorophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethenesulfonamide
CID 106607958
2,3,4-trifluoro-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630762
(E)-2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylethenesulfonamide
CID 60807810
2,6-difluoro-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630731
4-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106631237
4-[(E)-2-(4-chlorophenyl)ethenyl]-1-(piperidin-3-ylmethyl)pyridin-2-one
CID 82151139
4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630836
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-phenylethenesulfonamide
CID 77109067
N-(azetidin-3-yl)-2-(4-chlorophenyl)-N-propylethenesulfonamide
CID 77114927
1-cyclopropyl-N-methyl-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 106630892
(E)-2-(4-chlorophenyl)-N-(1-piperidin-3-ylcyclopropyl)ethenesulfonamide
CID 166408802

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethenesulfonamide (CID 106630787) is (E)-2-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethenesulfonamide is CN(CC1CCCNC1)S(=O)(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethenesulfonamide?
The InChIKey is WFGPYVAPKGVEBA-CSKARUKUSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c1-18(12-14-3-2-9-17-11-14)21(19,20)10-8-13-4-6-15(16)7-5-13/h4-8,10,14,17H,2-3,9,11-12H2,1H3/b10-8+.
What are the key properties of (E)-2-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethenesulfonamide has a molecular weight of 328.87 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethenesulfonamide is sourced from PubChem (CID 106630787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).