4-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide

C14H17FN2O3S2 — CID 87756852

IUPAC4-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
SMILESCCC(O)Cc1csc(NS(=O)(=O)c2ccc(F)cc2C)n1
InChIInChI=1S/C14H17FN2O3S2/c1-3-12(18)7-11-8-21-14(16-11)17-22(19,20)13-5-4-10(15)6-9(13)2/h4-6,8,12,18H,3,7H2,1-2H3,(H,16,17)
InChIKeyIWQVQKPZROLKHP-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.70
Rot. Bonds6

About 4-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide

4-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide (PubChem CID 87756852) has the molecular formula C14H17FN2O3S2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 4-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
PubChem CID87756852
Molecular FormulaC14H17FN2O3S2
Molecular Weight344.43 g/mol
Exact Mass344.07
IUPAC Name4-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
SMILESCCC(O)Cc1csc(NS(=O)(=O)c2ccc(F)cc2C)n1
InChIInChI=1S/C14H17FN2O3S2/c1-3-12(18)7-11-8-21-14(16-11)17-22(19,20)13-5-4-10(15)6-9(13)2/h4-6,8,12,18H,3,7H2,1-2H3,(H,16,17)
InChIKeyIWQVQKPZROLKHP-UHFFFAOYSA-N
XLogP2.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide (CID 87756852) is 4-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide is CCC(O)Cc1csc(NS(=O)(=O)c2ccc(F)cc2C)n1.
What is the InChIKey of 4-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The InChIKey is IWQVQKPZROLKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3S2/c1-3-12(18)7-11-8-21-14(16-11)17-22(19,20)13-5-4-10(15)6-9(13)2/h4-6,8,12,18H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 4-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
4-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide has a molecular weight of 344.43 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 87756852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).