3,4-difluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide

C11H10F2N2O3S2 — CID 64543445

IUPAC3,4-difluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCC(O)c1csc(NS(=O)(=O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C11H10F2N2O3S2/c1-6(16)10-5-19-11(14-10)15-20(17,18)7-2-3-8(12)9(13)4-7/h2-6,16H,1H3,(H,14,15)
InChIKeyJOZJUTVXVCKWSW-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.28
Rot. Bonds4

About 3,4-difluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide

3,4-difluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 64543445) has the molecular formula C11H10F2N2O3S2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 3,4-difluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID64543445
Molecular FormulaC11H10F2N2O3S2
Molecular Weight320.34 g/mol
Exact Mass320.01
IUPAC Name3,4-difluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCC(O)c1csc(NS(=O)(=O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C11H10F2N2O3S2/c1-6(16)10-5-19-11(14-10)15-20(17,18)7-2-3-8(12)9(13)4-7/h2-6,16H,1H3,(H,14,15)
InChIKeyJOZJUTVXVCKWSW-UHFFFAOYSA-N
XLogP2.28
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide
CID 64543448
4-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61481092
5-chloro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
CID 64571587
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpropane-1-sulfonamide
CID 64573299
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide
CID 105361317
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 64572227
2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide
CID 63288690
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropane-1-sulfonamide
CID 64572438
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 64573728
3-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61479503
3-(1-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61480691
4-(methylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61480734

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 64543445) is 3,4-difluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide is CC(O)c1csc(NS(=O)(=O)c2ccc(F)c(F)c2)n1.
What is the InChIKey of 3,4-difluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is JOZJUTVXVCKWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O3S2/c1-6(16)10-5-19-11(14-10)15-20(17,18)7-2-3-8(12)9(13)4-7/h2-6,16H,1H3,(H,14,15).
What are the key properties of 3,4-difluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide?
3,4-difluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 320.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 64543445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).