2-(2-chlorophenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]ethenesulfonamide

C17H20ClN3O2S2 — CID 72693839

IUPAC2-(2-chlorophenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]ethenesulfonamide
SMILESO=S(=O)(C=Cc1ccccc1Cl)NCCc1csc(N2CCCC2)n1
InChIInChI=1S/C17H20ClN3O2S2/c18-16-6-2-1-5-14(16)8-12-25(22,23)19-9-7-15-13-24-17(20-15)21-10-3-4-11-21/h1-2,5-6,8,12-13,19H,3-4,7,9-11H2
InChIKeyZWWUZPPAKHWKBZ-UHFFFAOYSA-N
MW397.95 g/mol
LogP3.53
Rot. Bonds7

About 2-(2-chlorophenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]ethenesulfonamide

2-(2-chlorophenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]ethenesulfonamide (PubChem CID 72693839) has the molecular formula C17H20ClN3O2S2 and a molecular weight of 397.95 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]ethenesulfonamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]ethenesulfonamide
PubChem CID72693839
Molecular FormulaC17H20ClN3O2S2
Molecular Weight397.95 g/mol
Exact Mass397.07
IUPAC Name2-(2-chlorophenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]ethenesulfonamide
SMILESO=S(=O)(C=Cc1ccccc1Cl)NCCc1csc(N2CCCC2)n1
InChIInChI=1S/C17H20ClN3O2S2/c18-16-6-2-1-5-14(16)8-12-25(22,23)19-9-7-15-13-24-17(20-15)21-10-3-4-11-21/h1-2,5-6,8,12-13,19H,3-4,7,9-11H2
InChIKeyZWWUZPPAKHWKBZ-UHFFFAOYSA-N
XLogP3.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110398238
3-methyl-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398163
N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide
CID 110398101
methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate
CID 110398213
2-amino-3-phenyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide;dihydrochloride
CID 119888171
N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide
CID 110284946
2,2-dimethyl-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110398156
4-bromo-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398036
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(2-chlorophenyl)methanesulfonamide
CID 110717938
(E)-2-(2-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethenesulfonamide
CID 75407826
3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398045
N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]cyclopentanamine
CID 110624868

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]ethenesulfonamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]ethenesulfonamide (CID 72693839) is 2-(2-chlorophenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]ethenesulfonamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]ethenesulfonamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]ethenesulfonamide is O=S(=O)(C=Cc1ccccc1Cl)NCCc1csc(N2CCCC2)n1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]ethenesulfonamide?
The InChIKey is ZWWUZPPAKHWKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S2/c18-16-6-2-1-5-14(16)8-12-25(22,23)19-9-7-15-13-24-17(20-15)21-10-3-4-11-21/h1-2,5-6,8,12-13,19H,3-4,7,9-11H2.
What are the key properties of 2-(2-chlorophenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]ethenesulfonamide?
2-(2-chlorophenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]ethenesulfonamide has a molecular weight of 397.95 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]ethenesulfonamide is sourced from PubChem (CID 72693839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).