2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-5-sulfonamide

C10H13ClF3N3O2S2 — CID 61045719

IUPAC2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCC1CCN(CC(F)(F)F)C1)c1cnc(Cl)s1
InChIInChI=1S/C10H13ClF3N3O2S2/c11-9-15-4-8(20-9)21(18,19)16-3-7-1-2-17(5-7)6-10(12,13)14/h4,7,16H,1-3,5-6H2
InChIKeyWYZVYPMIZYORJU-UHFFFAOYSA-N
MW363.81 g/mol
LogP1.96
Rot. Bonds5

About 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 61045719) has the molecular formula C10H13ClF3N3O2S2 and a molecular weight of 363.81 g/mol. Its IUPAC name is 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-5-sulfonamide
PubChem CID61045719
Molecular FormulaC10H13ClF3N3O2S2
Molecular Weight363.81 g/mol
Exact Mass363.01
IUPAC Name2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCC1CCN(CC(F)(F)F)C1)c1cnc(Cl)s1
InChIInChI=1S/C10H13ClF3N3O2S2/c11-9-15-4-8(20-9)21(18,19)16-3-7-1-2-17(5-7)6-10(12,13)14/h4,7,16H,1-3,5-6H2
InChIKeyWYZVYPMIZYORJU-UHFFFAOYSA-N
XLogP1.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-5-sulfonamide (CID 61045719) is 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-5-sulfonamide is O=S(=O)(NCC1CCN(CC(F)(F)F)C1)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is WYZVYPMIZYORJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3O2S2/c11-9-15-4-8(20-9)21(18,19)16-3-7-1-2-17(5-7)6-10(12,13)14/h4,7,16H,1-3,5-6H2.
What are the key properties of 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 363.81 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61045719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).