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

C6H7ClF2N2O3S2 — CID 106173740

IUPAC2-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCC(F)(F)CO)c1cnc(Cl)s1
InChIInChI=1S/C6H7ClF2N2O3S2/c7-5-10-1-4(15-5)16(13,14)11-2-6(8,9)3-12/h1,11-12H,2-3H2
InChIKeyVXLDEYBZDKOLGI-UHFFFAOYSA-N
MW292.72 g/mol
LogP0.70
Rot. Bonds5

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

2-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-sulfonamide (PubChem CID 106173740) has the molecular formula C6H7ClF2N2O3S2 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-sulfonamide
PubChem CID106173740
Molecular FormulaC6H7ClF2N2O3S2
Molecular Weight292.72 g/mol
Exact Mass291.96
IUPAC Name2-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCC(F)(F)CO)c1cnc(Cl)s1
InChIInChI=1S/C6H7ClF2N2O3S2/c7-5-10-1-4(15-5)16(13,14)11-2-6(8,9)3-12/h1,11-12H,2-3H2
InChIKeyVXLDEYBZDKOLGI-UHFFFAOYSA-N
XLogP0.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 43455886
2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide
CID 55261268
2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61046479
2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61047432
2-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide
CID 63226947
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-sulfonamide
CID 103847924
N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847976
N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 104858755
2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-sulfonamide
CID 105644705
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1,3-thiazole-5-sulfonamide
CID 105644715
2-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide
CID 105909027
2-chloro-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazole-5-sulfonamide
CID 105933610

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-sulfonamide (CID 106173740) is 2-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-sulfonamide is O=S(=O)(NCC(F)(F)CO)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is VXLDEYBZDKOLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF2N2O3S2/c7-5-10-1-4(15-5)16(13,14)11-2-6(8,9)3-12/h1,11-12H,2-3H2.
What are the key properties of 2-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 292.72 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 106173740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).