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

C17H23FN2O3S2 — CID 87756697

IUPACN-[4-(3-ethyl-3-hydroxypentyl)-1,3-thiazol-2-yl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCCC(O)(CC)CCc1csc(NS(=O)(=O)c2ccc(F)cc2C)n1
InChIInChI=1S/C17H23FN2O3S2/c1-4-17(21,5-2)9-8-14-11-24-16(19-14)20-25(22,23)15-7-6-13(18)10-12(15)3/h6-7,10-11,21H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeyIUZILJJLUVKKQJ-UHFFFAOYSA-N
MW386.51 g/mol
LogP3.88
Rot. Bonds8

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

N-[4-(3-ethyl-3-hydroxypentyl)-1,3-thiazol-2-yl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 87756697) has the molecular formula C17H23FN2O3S2 and a molecular weight of 386.51 g/mol. Its IUPAC name is N-[4-(3-ethyl-3-hydroxypentyl)-1,3-thiazol-2-yl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-ethyl-3-hydroxypentyl)-1,3-thiazol-2-yl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID87756697
Molecular FormulaC17H23FN2O3S2
Molecular Weight386.51 g/mol
Exact Mass386.11
IUPAC NameN-[4-(3-ethyl-3-hydroxypentyl)-1,3-thiazol-2-yl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCCC(O)(CC)CCc1csc(NS(=O)(=O)c2ccc(F)cc2C)n1
InChIInChI=1S/C17H23FN2O3S2/c1-4-17(21,5-2)9-8-14-11-24-16(19-14)20-25(22,23)15-7-6-13(18)10-12(15)3/h6-7,10-11,21H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeyIUZILJJLUVKKQJ-UHFFFAOYSA-N
XLogP3.88
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.51
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 32281234
N-(4-benzyl-1,3-thiazol-2-yl)methanesulfonamide
CID 86799006
N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-3-fluorobenzenesulfonamide
CID 11653365
2-[2-[(5-Fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43167172
3-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 86247508
N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
CID 86247528
3-chloro-N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
CID 87756313
N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 87756521
2-fluoro-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-5-methylbenzenesulfonamide
CID 87756681
4-fluoro-N-[4-(3-hydroxypentyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87756750
4-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87756852
4-[3-(dimethylamino)propyl]-N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 140113249

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-ethyl-3-hydroxypentyl)-1,3-thiazol-2-yl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[4-(3-ethyl-3-hydroxypentyl)-1,3-thiazol-2-yl]-4-fluoro-2-methylbenzenesulfonamide (CID 87756697) is N-[4-(3-ethyl-3-hydroxypentyl)-1,3-thiazol-2-yl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(3-ethyl-3-hydroxypentyl)-1,3-thiazol-2-yl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(3-ethyl-3-hydroxypentyl)-1,3-thiazol-2-yl]-4-fluoro-2-methylbenzenesulfonamide is CCC(O)(CC)CCc1csc(NS(=O)(=O)c2ccc(F)cc2C)n1.
What is the InChIKey of N-[4-(3-ethyl-3-hydroxypentyl)-1,3-thiazol-2-yl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is IUZILJJLUVKKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3S2/c1-4-17(21,5-2)9-8-14-11-24-16(19-14)20-25(22,23)15-7-6-13(18)10-12(15)3/h6-7,10-11,21H,4-5,8-9H2,1-3H3,(H,19,20).
What are the key properties of N-[4-(3-ethyl-3-hydroxypentyl)-1,3-thiazol-2-yl]-4-fluoro-2-methylbenzenesulfonamide?
N-[4-(3-ethyl-3-hydroxypentyl)-1,3-thiazol-2-yl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 386.51 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-ethyl-3-hydroxypentyl)-1,3-thiazol-2-yl]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 87756697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).