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

C5H5ClF2N2O2S2 — CID 115406500

IUPAC2-chloro-N-(2,2-difluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCC(F)F)c1cnc(Cl)s1
InChIInChI=1S/C5H5ClF2N2O2S2/c6-5-9-2-4(13-5)14(11,12)10-1-3(7)8/h2-3,10H,1H2
InChIKeyOMCIKYWPKOBETG-UHFFFAOYSA-N
MW262.69 g/mol
LogP1.34
Rot. Bonds4

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

2-chloro-N-(2,2-difluoroethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 115406500) has the molecular formula C5H5ClF2N2O2S2 and a molecular weight of 262.69 g/mol. Its IUPAC name is 2-chloro-N-(2,2-difluoroethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,2-difluoroethyl)-1,3-thiazole-5-sulfonamide
PubChem CID115406500
Molecular FormulaC5H5ClF2N2O2S2
Molecular Weight262.69 g/mol
Exact Mass261.94
IUPAC Name2-chloro-N-(2,2-difluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCC(F)F)c1cnc(Cl)s1
InChIInChI=1S/C5H5ClF2N2O2S2/c6-5-9-2-4(13-5)14(11,12)10-1-3(7)8/h2-3,10H,1H2
InChIKeyOMCIKYWPKOBETG-UHFFFAOYSA-N
XLogP1.34
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-difluoroethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2,2-difluoroethyl)-1,3-thiazole-5-sulfonamide (CID 115406500) is 2-chloro-N-(2,2-difluoroethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2,2-difluoroethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2,2-difluoroethyl)-1,3-thiazole-5-sulfonamide is O=S(=O)(NCC(F)F)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(2,2-difluoroethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is OMCIKYWPKOBETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClF2N2O2S2/c6-5-9-2-4(13-5)14(11,12)10-1-3(7)8/h2-3,10H,1H2.
What are the key properties of 2-chloro-N-(2,2-difluoroethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(2,2-difluoroethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 262.69 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-difluoroethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 115406500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).