2-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-1,3-thiazole-5-sulfonamide

C7H9ClF2N2O3S2 — CID 103836874

IUPAC2-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C7H9ClF2N2O3S2/c1-3-6(16-7(8)12-3)17(14,15)11-2-4(13)5(9)10/h4-5,11,13H,2H2,1H3
InChIKeyNTZROWJOAMBTKB-UHFFFAOYSA-N
MW306.74 g/mol
LogP1.01
Rot. Bonds5

About 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103836874) has the molecular formula C7H9ClF2N2O3S2 and a molecular weight of 306.74 g/mol. Its IUPAC name is 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103836874
Molecular FormulaC7H9ClF2N2O3S2
Molecular Weight306.74 g/mol
Exact Mass305.97
IUPAC Name2-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C7H9ClF2N2O3S2/c1-3-6(16-7(8)12-3)17(14,15)11-2-4(13)5(9)10/h4-5,11,13H,2H2,1H3
InChIKeyNTZROWJOAMBTKB-UHFFFAOYSA-N
XLogP1.01
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.74
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 103836874) is 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NCC(O)C(F)F.
What is the InChIKey of 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is NTZROWJOAMBTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF2N2O3S2/c1-3-6(16-7(8)12-3)17(14,15)11-2-4(13)5(9)10/h4-5,11,13H,2H2,1H3.
What are the key properties of 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 306.74 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103836874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).