N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide

C15H19FN2O3S2 — CID 86247528

IUPACN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
SMILESCCC(O)(CC)Cc1csc(NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN2O3S2/c1-3-15(19,4-2)9-12-10-22-14(17-12)18-23(20,21)13-7-5-11(16)6-8-13/h5-8,10,19H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyNJHYICOPGYIICB-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.18
Rot. Bonds7

About N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide

N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide (PubChem CID 86247528) has the molecular formula C15H19FN2O3S2 and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
PubChem CID86247528
Molecular FormulaC15H19FN2O3S2
Molecular Weight358.46 g/mol
Exact Mass358.08
IUPAC NameN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
SMILESCCC(O)(CC)Cc1csc(NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN2O3S2/c1-3-15(19,4-2)9-12-10-22-14(17-12)18-23(20,21)13-7-5-11(16)6-8-13/h5-8,10,19H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyNJHYICOPGYIICB-UHFFFAOYSA-N
XLogP3.18
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-[2-(dimethylamino)ethoxy]-N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 87756691
2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 18571924
N-[(4-fluorophenyl)methyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide
CID 27376809
2-[2-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546649
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-ethoxybenzenesulfonamide
CID 108783775
2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16820720
N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 74227200
methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 43624510
4-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43135540
4-(ethylaminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 28715935
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 61068278
N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]naphthalene-2-sulfonamide
CID 11545304

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide (CID 86247528) is N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide is CCC(O)(CC)Cc1csc(NS(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide?
The InChIKey is NJHYICOPGYIICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3S2/c1-3-15(19,4-2)9-12-10-22-14(17-12)18-23(20,21)13-7-5-11(16)6-8-13/h5-8,10,19H,3-4,9H2,1-2H3,(H,17,18).
What are the key properties of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide?
N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 86247528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).