(E)-2-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)ethenesulfonamide

C17H19ClN4O2S — CID 55906361

IUPAC(E)-2-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H19ClN4O2S/c18-15-4-2-14(3-5-15)8-13-25(23,24)21-16-6-11-22(12-7-16)17-19-9-1-10-20-17/h1-5,8-10,13,16,21H,6-7,11-12H2/b13-8+
InChIKeyKWTVWCDEZQSPAL-MDWZMJQESA-N
MW378.89 g/mol
LogP2.69
Rot. Bonds5

About (E)-2-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)ethenesulfonamide

(E)-2-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)ethenesulfonamide (PubChem CID 55906361) has the molecular formula C17H19ClN4O2S and a molecular weight of 378.89 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)ethenesulfonamide
PubChem CID55906361
Molecular FormulaC17H19ClN4O2S
Molecular Weight378.89 g/mol
Exact Mass378.09
IUPAC Name(E)-2-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H19ClN4O2S/c18-15-4-2-14(3-5-15)8-13-25(23,24)21-16-6-11-22(12-7-16)17-19-9-1-10-20-17/h1-5,8-10,13,16,21H,6-7,11-12H2/b13-8+
InChIKeyKWTVWCDEZQSPAL-MDWZMJQESA-N
XLogP2.69
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.89
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)ethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)ethenesulfonamide (CID 55906361) is (E)-2-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)ethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)ethenesulfonamide is O=S(=O)(/C=C/c1ccc(Cl)cc1)NC1CCN(c2ncccn2)CC1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)ethenesulfonamide?
The InChIKey is KWTVWCDEZQSPAL-MDWZMJQESA-N. The full InChI is InChI=1S/C17H19ClN4O2S/c18-15-4-2-14(3-5-15)8-13-25(23,24)21-16-6-11-22(12-7-16)17-19-9-1-10-20-17/h1-5,8-10,13,16,21H,6-7,11-12H2/b13-8+.
What are the key properties of (E)-2-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)ethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)ethenesulfonamide has a molecular weight of 378.89 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)ethenesulfonamide is sourced from PubChem (CID 55906361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).