2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide

C8H10ClF3N2O2S2 — CID 61045588

IUPAC2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H10ClF3N2O2S2/c1-5(2)14(4-8(10,11)12)18(15,16)6-3-13-7(9)17-6/h3,5H,4H2,1-2H3
InChIKeyKAFRXGWPJLGZLQ-UHFFFAOYSA-N
MW322.76 g/mol
LogP2.76
Rot. Bonds4

About 2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide

2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 61045588) has the molecular formula C8H10ClF3N2O2S2 and a molecular weight of 322.76 g/mol. Its IUPAC name is 2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
PubChem CID61045588
Molecular FormulaC8H10ClF3N2O2S2
Molecular Weight322.76 g/mol
Exact Mass321.98
IUPAC Name2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H10ClF3N2O2S2/c1-5(2)14(4-8(10,11)12)18(15,16)6-3-13-7(9)17-6/h3,5H,4H2,1-2H3
InChIKeyKAFRXGWPJLGZLQ-UHFFFAOYSA-N
XLogP2.76
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-Difluoroethyl)-1,3-thiazole-5-sulfonylchloride
CID 155973595
5-Methylsulfonyl-2-(trifluoromethyl)-1,3-thiazole
CID 21394715
2-(Trifluoromethyl)-1,3-thiazole-5-sulfonyl chloride
CID 106784106
2-(Trifluoromethyl)-1,3-thiazole-5-sulfonamide
CID 106784107
2-(Difluoromethyl)-1,3-thiazole-5-sulfonamide
CID 146571332
2-(1,1-Difluoroethyl)-1,3-thiazole-5-sulfonamide
CID 155973089
2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 43455886
2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 54979823
2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 55010800
2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 55010851
2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 60892146
2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61042564

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (CID 61045588) is 2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is CC(C)N(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is KAFRXGWPJLGZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N2O2S2/c1-5(2)14(4-8(10,11)12)18(15,16)6-3-13-7(9)17-6/h3,5H,4H2,1-2H3.
What are the key properties of 2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 322.76 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61045588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).