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

C18H23FN2O3S2 — CID 16888291

IUPAC3-fluoro-4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1F
InChIInChI=1S/C18H23FN2O3S2/c1-24-18-5-4-16(11-17(18)19)26(22,23)20-12-14-6-8-21(9-7-14)13-15-3-2-10-25-15/h2-5,10-11,14,20H,6-9,12-13H2,1H3
InChIKeySECZYHXJQHSZKV-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.09
Rot. Bonds7

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

3-fluoro-4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 16888291) has the molecular formula C18H23FN2O3S2 and a molecular weight of 398.53 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID16888291
Molecular FormulaC18H23FN2O3S2
Molecular Weight398.53 g/mol
Exact Mass398.11
IUPAC Name3-fluoro-4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1F
InChIInChI=1S/C18H23FN2O3S2/c1-24-18-5-4-16(11-17(18)19)26(22,23)20-12-14-6-8-21(9-7-14)13-15-3-2-10-25-15/h2-5,10-11,14,20H,6-9,12-13H2,1H3
InChIKeySECZYHXJQHSZKV-UHFFFAOYSA-N
XLogP3.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 2169350
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2999542
3-Fluoro-4-methoxy-N-[2-(4-methylbenzenesulfonyl)-2-(thiophen-2-YL)ethyl]benzene-1-sulfonamide
CID 16032978
4-methoxy-N-[[1-[(3-methyl-2-thiophenyl)-oxomethyl]-3-piperidinyl]methyl]benzenesulfonamide
CID 16189508
4-methoxy-N-{[1-(2-thienylcarbonyl)-3-piperidinyl]methyl}benzenesulfonamide
CID 16189611
N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 71451454
1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-(2-thienylmethyl)piperazine
CID 9166109
N-cyclopentyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 665629
N-(2-cyanoethyl)-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519184
N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 24793901
Bes(4-OMe)-Gly-N(thien-2-ylmethyl)Gly-NHtBu
CID 3206981
N-(2-(azepan-1-yl)-2-(thiophen-3-yl)ethyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 16933249

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 16888291) is 3-fluoro-4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is SECZYHXJQHSZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3S2/c1-24-18-5-4-16(11-17(18)19)26(22,23)20-12-14-6-8-21(9-7-14)13-15-3-2-10-25-15/h2-5,10-11,14,20H,6-9,12-13H2,1H3.
What are the key properties of 3-fluoro-4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
3-fluoro-4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 398.53 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16888291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).