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

C9H12ClF3N2O2S2 — CID 61045951

IUPACN-butyl-2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H12ClF3N2O2S2/c1-2-3-4-15(6-9(11,12)13)19(16,17)7-5-14-8(10)18-7/h5H,2-4,6H2,1H3
InChIKeyKDPKNHAQWFILQD-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.15
Rot. Bonds6

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

N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 61045951) has the molecular formula C9H12ClF3N2O2S2 and a molecular weight of 336.79 g/mol. Its IUPAC name is N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-butyl-2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
PubChem CID61045951
Molecular FormulaC9H12ClF3N2O2S2
Molecular Weight336.79 g/mol
Exact Mass336.00
IUPAC NameN-butyl-2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H12ClF3N2O2S2/c1-2-3-4-15(6-9(11,12)13)19(16,17)7-5-14-8(10)18-7/h5H,2-4,6H2,1H3
InChIKeyKDPKNHAQWFILQD-UHFFFAOYSA-N
XLogP3.15
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.15
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 N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (CID 61045951) is N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is CCCCN(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is KDPKNHAQWFILQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF3N2O2S2/c1-2-3-4-15(6-9(11,12)13)19(16,17)7-5-14-8(10)18-7/h5H,2-4,6H2,1H3.
What are the key properties of N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 336.79 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61045951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).