2-chloro-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide

C9H10ClF3N2O2S2 — CID 55010802

IUPAC2-chloro-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H10ClF3N2O2S2/c1-5-7(18-8(10)14-5)19(16,17)15(6-2-3-6)4-9(11,12)13/h6H,2-4H2,1H3
InChIKeyNTXJYLKAXBHXBL-UHFFFAOYSA-N
MW334.77 g/mol
LogP2.82
Rot. Bonds4

About 2-chloro-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide

2-chloro-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 55010802) has the molecular formula C9H10ClF3N2O2S2 and a molecular weight of 334.77 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
PubChem CID55010802
Molecular FormulaC9H10ClF3N2O2S2
Molecular Weight334.77 g/mol
Exact Mass333.98
IUPAC Name2-chloro-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H10ClF3N2O2S2/c1-5-7(18-8(10)14-5)19(16,17)15(6-2-3-6)4-9(11,12)13/h6H,2-4H2,1H3
InChIKeyNTXJYLKAXBHXBL-UHFFFAOYSA-N
XLogP2.82
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.77
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (CID 55010802) is 2-chloro-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is NTXJYLKAXBHXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O2S2/c1-5-7(18-8(10)14-5)19(16,17)15(6-2-3-6)4-9(11,12)13/h6H,2-4H2,1H3.
What are the key properties of 2-chloro-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 334.77 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 55010802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).