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

C15H19FN2O3S2 — CID 87756750

IUPAC4-fluoro-N-[4-(3-hydroxypentyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
SMILESCCC(O)CCc1csc(NS(=O)(=O)c2ccc(F)cc2C)n1
InChIInChI=1S/C15H19FN2O3S2/c1-3-13(19)6-5-12-9-22-15(17-12)18-23(20,21)14-7-4-11(16)8-10(14)2/h4,7-9,13,19H,3,5-6H2,1-2H3,(H,17,18)
InChIKeyBVPYQZGSHJEMAV-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.09
Rot. Bonds7

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

4-fluoro-N-[4-(3-hydroxypentyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide (PubChem CID 87756750) has the molecular formula C15H19FN2O3S2 and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-fluoro-N-[4-(3-hydroxypentyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(3-hydroxypentyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
PubChem CID87756750
Molecular FormulaC15H19FN2O3S2
Molecular Weight358.46 g/mol
Exact Mass358.08
IUPAC Name4-fluoro-N-[4-(3-hydroxypentyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
SMILESCCC(O)CCc1csc(NS(=O)(=O)c2ccc(F)cc2C)n1
InChIInChI=1S/C15H19FN2O3S2/c1-3-13(19)6-5-12-9-22-15(17-12)18-23(20,21)14-7-4-11(16)8-10(14)2/h4,7-9,13,19H,3,5-6H2,1-2H3,(H,17,18)
InChIKeyBVPYQZGSHJEMAV-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43344111
N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 62999070
4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
CID 110719618
2-[2-[(2,4-difluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43328550
ethyl 2-[2-[(4-bromo-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10202501
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide
CID 64543448
ethyl 2-[2-[(2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10268845
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
4-bromo-N-[4-[(1-hydroxycyclobutyl)methyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 11560733
4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]-2-methylbenzenesulfonamide
CID 93084017
2-chloro-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
CID 167896231
ethyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1H-imidazole-5-carboxylate
CID 136558313

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(3-hydroxypentyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-(3-hydroxypentyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide (CID 87756750) is 4-fluoro-N-[4-(3-hydroxypentyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-(3-hydroxypentyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-(3-hydroxypentyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide is CCC(O)CCc1csc(NS(=O)(=O)c2ccc(F)cc2C)n1.
What is the InChIKey of 4-fluoro-N-[4-(3-hydroxypentyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The InChIKey is BVPYQZGSHJEMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3S2/c1-3-13(19)6-5-12-9-22-15(17-12)18-23(20,21)14-7-4-11(16)8-10(14)2/h4,7-9,13,19H,3,5-6H2,1-2H3,(H,17,18).
What are the key properties of 4-fluoro-N-[4-(3-hydroxypentyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
4-fluoro-N-[4-(3-hydroxypentyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(3-hydroxypentyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 87756750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).