1-(1-benzofuran-7-ylsulfonyl)-N-methylpiperidine-4-sulfonamide

C14H18N2O5S2 — CID 128571218

IUPAC1-(1-benzofuran-7-ylsulfonyl)-N-methylpiperidine-4-sulfonamide
SMILESCNS(=O)(=O)C1CCN(S(=O)(=O)c2cccc3ccoc23)CC1
InChIInChI=1S/C14H18N2O5S2/c1-15-22(17,18)12-5-8-16(9-6-12)23(19,20)13-4-2-3-11-7-10-21-14(11)13/h2-4,7,10,12,15H,5-6,8-9H2,1H3
InChIKeyIEXYPQYINJKECX-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.14
Rot. Bonds4

About 1-(1-benzofuran-7-ylsulfonyl)-N-methylpiperidine-4-sulfonamide

1-(1-benzofuran-7-ylsulfonyl)-N-methylpiperidine-4-sulfonamide (PubChem CID 128571218) has the molecular formula C14H18N2O5S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-(1-benzofuran-7-ylsulfonyl)-N-methylpiperidine-4-sulfonamide.

Molecular Properties

Compound Name1-(1-benzofuran-7-ylsulfonyl)-N-methylpiperidine-4-sulfonamide
PubChem CID128571218
Molecular FormulaC14H18N2O5S2
Molecular Weight358.44 g/mol
Exact Mass358.07
IUPAC Name1-(1-benzofuran-7-ylsulfonyl)-N-methylpiperidine-4-sulfonamide
SMILESCNS(=O)(=O)C1CCN(S(=O)(=O)c2cccc3ccoc23)CC1
InChIInChI=1S/C14H18N2O5S2/c1-15-22(17,18)12-5-8-16(9-6-12)23(19,20)13-4-2-3-11-7-10-21-14(11)13/h2-4,7,10,12,15H,5-6,8-9H2,1H3
InChIKeyIEXYPQYINJKECX-UHFFFAOYSA-N
XLogP1.14
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzofuran-7-ylsulfonyl)pyrrolidine-3-carboxylic acid
CID 122068400
1-(1-benzofuran-7-ylsulfonyl)-3-fluoro-3-methylpiperidine
CID 128580754
2-[1-(1-benzofuran-7-ylsulfonyl)-3-hydroxypiperidin-3-yl]-N-methylacetamide
CID 154746564
1-(1-benzofuran-7-ylsulfonyl)-4-ethyl-2-methylpiperazine
CID 128579357
4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine
CID 90589478
4-methylsulfonyl-1-(2-nitrophenyl)sulfonylpiperidine
CID 90585229
N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-6-methylpyridin-2-amine
CID 56806983
N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine
CID 119961093
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354839
(3S)-1-(4-chloroisoquinolin-5-yl)sulfonyl-N-methylpyrrolidin-3-amine;dihydrochloride
CID 67524094
bis((3S)-1-(4-chloroisoquinolin-5-yl)sulfonyl-N-methylpyrrolidin-3-amine);hydrochloride
CID 172708331
1-(2-ethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 120710068

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-7-ylsulfonyl)-N-methylpiperidine-4-sulfonamide?
The IUPAC name of 1-(1-benzofuran-7-ylsulfonyl)-N-methylpiperidine-4-sulfonamide (CID 128571218) is 1-(1-benzofuran-7-ylsulfonyl)-N-methylpiperidine-4-sulfonamide.
What is the SMILES notation for 1-(1-benzofuran-7-ylsulfonyl)-N-methylpiperidine-4-sulfonamide?
The canonical SMILES for 1-(1-benzofuran-7-ylsulfonyl)-N-methylpiperidine-4-sulfonamide is CNS(=O)(=O)C1CCN(S(=O)(=O)c2cccc3ccoc23)CC1.
What is the InChIKey of 1-(1-benzofuran-7-ylsulfonyl)-N-methylpiperidine-4-sulfonamide?
The InChIKey is IEXYPQYINJKECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S2/c1-15-22(17,18)12-5-8-16(9-6-12)23(19,20)13-4-2-3-11-7-10-21-14(11)13/h2-4,7,10,12,15H,5-6,8-9H2,1H3.
What are the key properties of 1-(1-benzofuran-7-ylsulfonyl)-N-methylpiperidine-4-sulfonamide?
1-(1-benzofuran-7-ylsulfonyl)-N-methylpiperidine-4-sulfonamide has a molecular weight of 358.44 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-7-ylsulfonyl)-N-methylpiperidine-4-sulfonamide is sourced from PubChem (CID 128571218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).