4-fluoro-2-methyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzenesulfonamide

C16H16FN3O2S2 — CID 86266436

IUPAC4-fluoro-2-methyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C16H16FN3O2S2/c1-12-10-14(17)2-3-16(12)24(21,22)18-6-8-20-7-4-15(19-20)13-5-9-23-11-13/h2-5,7,9-11,18H,6,8H2,1H3
InChIKeyXRFGOODQAREJHY-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.04
Rot. Bonds6

About 4-fluoro-2-methyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzenesulfonamide

4-fluoro-2-methyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 86266436) has the molecular formula C16H16FN3O2S2 and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzenesulfonamide
PubChem CID86266436
Molecular FormulaC16H16FN3O2S2
Molecular Weight365.46 g/mol
Exact Mass365.07
IUPAC Name4-fluoro-2-methyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C16H16FN3O2S2/c1-12-10-14(17)2-3-16(12)24(21,22)18-6-8-20-7-4-15(19-20)13-5-9-23-11-13/h2-5,7,9-11,18H,6,8H2,1H3
InChIKeyXRFGOODQAREJHY-UHFFFAOYSA-N
XLogP3.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716621
2,4,5-trimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588714
4-fluoro-2-methyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide
CID 110730424
4-fluoro-2-methyl-N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]benzenesulfonamide
CID 119101281
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 113082199
4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663350
4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide
CID 106846623
2-bromo-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588186
N-(2-tert-butylsulfanylethyl)-4-fluoro-2-methylbenzenesulfonamide
CID 95177267
N-(6-chlorohexyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114008823
4-fluoro-N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzenesulfonamide
CID 104593925
4-fluoro-2-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110718479

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzenesulfonamide (CID 86266436) is 4-fluoro-2-methyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCCn1ccc(-c2ccsc2)n1.
What is the InChIKey of 4-fluoro-2-methyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is XRFGOODQAREJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S2/c1-12-10-14(17)2-3-16(12)24(21,22)18-6-8-20-7-4-15(19-20)13-5-9-23-11-13/h2-5,7,9-11,18H,6,8H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 365.46 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 86266436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).