(E)-2-(4-chlorophenyl)-N-(1,4-dimethylpyrrolidin-3-yl)ethenesulfonamide

C14H19ClN2O2S — CID 75535517

IUPAC(E)-2-(4-chlorophenyl)-N-(1,4-dimethylpyrrolidin-3-yl)ethenesulfonamide
SMILESCC1CN(C)CC1NS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2S/c1-11-9-17(2)10-14(11)16-20(18,19)8-7-12-3-5-13(15)6-4-12/h3-8,11,14,16H,9-10H2,1-2H3/b8-7+
InChIKeySSVSWCHHKNXWPW-BQYQJAHWSA-N
MW314.84 g/mol
LogP2.18
Rot. Bonds4

About (E)-2-(4-chlorophenyl)-N-(1,4-dimethylpyrrolidin-3-yl)ethenesulfonamide

(E)-2-(4-chlorophenyl)-N-(1,4-dimethylpyrrolidin-3-yl)ethenesulfonamide (PubChem CID 75535517) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-(1,4-dimethylpyrrolidin-3-yl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-(1,4-dimethylpyrrolidin-3-yl)ethenesulfonamide
PubChem CID75535517
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC Name(E)-2-(4-chlorophenyl)-N-(1,4-dimethylpyrrolidin-3-yl)ethenesulfonamide
SMILESCC1CN(C)CC1NS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2S/c1-11-9-17(2)10-14(11)16-20(18,19)8-7-12-3-5-13(15)6-4-12/h3-8,11,14,16H,9-10H2,1-2H3/b8-7+
InChIKeySSVSWCHHKNXWPW-BQYQJAHWSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-(1,4-dimethylpyrrolidin-3-yl)ethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-(1,4-dimethylpyrrolidin-3-yl)ethenesulfonamide (CID 75535517) is (E)-2-(4-chlorophenyl)-N-(1,4-dimethylpyrrolidin-3-yl)ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-(1,4-dimethylpyrrolidin-3-yl)ethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-(1,4-dimethylpyrrolidin-3-yl)ethenesulfonamide is CC1CN(C)CC1NS(=O)(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-(1,4-dimethylpyrrolidin-3-yl)ethenesulfonamide?
The InChIKey is SSVSWCHHKNXWPW-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c1-11-9-17(2)10-14(11)16-20(18,19)8-7-12-3-5-13(15)6-4-12/h3-8,11,14,16H,9-10H2,1-2H3/b8-7+.
What are the key properties of (E)-2-(4-chlorophenyl)-N-(1,4-dimethylpyrrolidin-3-yl)ethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-(1,4-dimethylpyrrolidin-3-yl)ethenesulfonamide has a molecular weight of 314.84 g/mol, XLogP of 2.18, 4 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-(1,4-dimethylpyrrolidin-3-yl)ethenesulfonamide is sourced from PubChem (CID 75535517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).