4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide

C13H15FN2O3S2 — CID 102562347

IUPAC4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(F)c(OC)c1)c1nccs1
InChIInChI=1S/C13H15FN2O3S2/c1-3-11(13-15-6-7-20-13)16-21(17,18)9-4-5-10(14)12(8-9)19-2/h4-8,11,16H,3H2,1-2H3
InChIKeySONWNDYIARERAM-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.72
Rot. Bonds6

About 4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide

4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide (PubChem CID 102562347) has the molecular formula C13H15FN2O3S2 and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
PubChem CID102562347
Molecular FormulaC13H15FN2O3S2
Molecular Weight330.41 g/mol
Exact Mass330.05
IUPAC Name4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(F)c(OC)c1)c1nccs1
InChIInChI=1S/C13H15FN2O3S2/c1-3-11(13-15-6-7-20-13)16-21(17,18)9-4-5-10(14)12(8-9)19-2/h4-8,11,16H,3H2,1-2H3
InChIKeySONWNDYIARERAM-UHFFFAOYSA-N
XLogP2.72
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 82843811
4-(aminomethyl)-2-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 79180058
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide
CID 124506403
4-butan-2-ylsulfonyl-1-fluoro-2-methoxybenzene
CID 154972460
5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
CID 124595092
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015053
2,5-dibromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 81435158
5-bromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
CID 79941148
4-fluoro-3-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 935410
3-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide
CID 110289684
3-amino-2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 79884780
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide
CID 22772279

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide (CID 102562347) is 4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide is CCC(NS(=O)(=O)c1ccc(F)c(OC)c1)c1nccs1.
What is the InChIKey of 4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
The InChIKey is SONWNDYIARERAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S2/c1-3-11(13-15-6-7-20-13)16-21(17,18)9-4-5-10(14)12(8-9)19-2/h4-8,11,16H,3H2,1-2H3.
What are the key properties of 4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 102562347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).