(E)-2-(2-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethenesulfonamide

C16H21ClN2O2S — CID 75407826

IUPAC(E)-2-(2-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1Cl)NCC1CCN(C2CC2)C1
InChIInChI=1S/C16H21ClN2O2S/c17-16-4-2-1-3-14(16)8-10-22(20,21)18-11-13-7-9-19(12-13)15-5-6-15/h1-4,8,10,13,15,18H,5-7,9,11-12H2/b10-8+
InChIKeyNATFHJZQAOHGAK-CSKARUKUSA-N
MW340.88 g/mol
LogP2.71
Rot. Bonds6

About (E)-2-(2-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethenesulfonamide

(E)-2-(2-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethenesulfonamide (PubChem CID 75407826) has the molecular formula C16H21ClN2O2S and a molecular weight of 340.88 g/mol. Its IUPAC name is (E)-2-(2-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(2-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethenesulfonamide
PubChem CID75407826
Molecular FormulaC16H21ClN2O2S
Molecular Weight340.88 g/mol
Exact Mass340.10
IUPAC Name(E)-2-(2-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1Cl)NCC1CCN(C2CC2)C1
InChIInChI=1S/C16H21ClN2O2S/c17-16-4-2-1-3-14(16)8-10-22(20,21)18-11-13-7-9-19(12-13)15-5-6-15/h1-4,8,10,13,15,18H,5-7,9,11-12H2/b10-8+
InChIKeyNATFHJZQAOHGAK-CSKARUKUSA-N
XLogP2.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-2-(2-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 61110999
N-[[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210402
(E)-2-(2-chlorophenyl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]ethenesulfonamide
CID 128994987
(E)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine
CID 62340599
6-chloro-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-methylpyridine-3-sulfonamide
CID 95781637
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dichlorophenyl)ethanamine
CID 103777374
2-(2-chlorophenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]ethenesulfonamide
CID 72693839
N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide
CID 146211749
2-(2-chlorophenyl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)ethenesulfonamide
CID 136541927
2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91813135
4-[(1-cyclopropylpyrrolidin-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 63617321
6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61052814

Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethenesulfonamide?
The IUPAC name of (E)-2-(2-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethenesulfonamide (CID 75407826) is (E)-2-(2-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(2-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethenesulfonamide?
The canonical SMILES for (E)-2-(2-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethenesulfonamide is O=S(=O)(/C=C/c1ccccc1Cl)NCC1CCN(C2CC2)C1.
What is the InChIKey of (E)-2-(2-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethenesulfonamide?
The InChIKey is NATFHJZQAOHGAK-CSKARUKUSA-N. The full InChI is InChI=1S/C16H21ClN2O2S/c17-16-4-2-1-3-14(16)8-10-22(20,21)18-11-13-7-9-19(12-13)15-5-6-15/h1-4,8,10,13,15,18H,5-7,9,11-12H2/b10-8+.
What are the key properties of (E)-2-(2-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethenesulfonamide?
(E)-2-(2-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethenesulfonamide has a molecular weight of 340.88 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethenesulfonamide is sourced from PubChem (CID 75407826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).