4-fluoro-3-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

C18H23FN2O2S2 — CID 16888307

IUPAC4-fluoro-3-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)ccc1F
InChIInChI=1S/C18H23FN2O2S2/c1-14-11-17(4-5-18(14)19)25(22,23)20-12-15-6-8-21(9-7-15)13-16-3-2-10-24-16/h2-5,10-11,15,20H,6-9,12-13H2,1H3
InChIKeyCVQXHZKHOLJKSF-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.39
Rot. Bonds6

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

4-fluoro-3-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 16888307) has the molecular formula C18H23FN2O2S2 and a molecular weight of 382.53 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID16888307
Molecular FormulaC18H23FN2O2S2
Molecular Weight382.53 g/mol
Exact Mass382.12
IUPAC Name4-fluoro-3-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)ccc1F
InChIInChI=1S/C18H23FN2O2S2/c1-14-11-17(4-5-18(14)19)25(22,23)20-12-15-6-8-21(9-7-15)13-16-3-2-10-24-16/h2-5,10-11,15,20H,6-9,12-13H2,1H3
InChIKeyCVQXHZKHOLJKSF-UHFFFAOYSA-N
XLogP3.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.39
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-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 16888307) is 4-fluoro-3-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is CVQXHZKHOLJKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2S2/c1-14-11-17(4-5-18(14)19)25(22,23)20-12-15-6-8-21(9-7-15)13-16-3-2-10-24-16/h2-5,10-11,15,20H,6-9,12-13H2,1H3.
What are the key properties of 4-fluoro-3-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 382.53 g/mol, XLogP of 3.39, 6 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-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16888307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).