4-fluoro-3-methyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide

C17H20FNO3S2 — CID 134161827

IUPAC4-fluoro-3-methyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(c2cccs2)C2CCOCC2)ccc1F
InChIInChI=1S/C17H20FNO3S2/c1-12-11-14(4-5-15(12)18)24(20,21)19-17(16-3-2-10-23-16)13-6-8-22-9-7-13/h2-5,10-11,13,17,19H,6-9H2,1H3
InChIKeyZDAXSWKKTGUJIV-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.64
Rot. Bonds5

About 4-fluoro-3-methyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide

4-fluoro-3-methyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 134161827) has the molecular formula C17H20FNO3S2 and a molecular weight of 369.48 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide
PubChem CID134161827
Molecular FormulaC17H20FNO3S2
Molecular Weight369.48 g/mol
Exact Mass369.09
IUPAC Name4-fluoro-3-methyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(c2cccs2)C2CCOCC2)ccc1F
InChIInChI=1S/C17H20FNO3S2/c1-12-11-14(4-5-15(12)18)24(20,21)19-17(16-3-2-10-23-16)13-6-8-22-9-7-13/h2-5,10-11,13,17,19H,6-9H2,1H3
InChIKeyZDAXSWKKTGUJIV-UHFFFAOYSA-N
XLogP3.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide (CID 134161827) is 4-fluoro-3-methyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NC(c2cccs2)C2CCOCC2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is ZDAXSWKKTGUJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3S2/c1-12-11-14(4-5-15(12)18)24(20,21)19-17(16-3-2-10-23-16)13-6-8-22-9-7-13/h2-5,10-11,13,17,19H,6-9H2,1H3.
What are the key properties of 4-fluoro-3-methyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 369.48 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 134161827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).