N-[(3S)-1-methylpyrrolidin-3-yl]-1-benzofuran-7-sulfonamide

C13H16N2O3S — CID 164641167

IUPACN-[(3S)-1-methylpyrrolidin-3-yl]-1-benzofuran-7-sulfonamide
SMILESCN1CC[C@H](NS(=O)(=O)c2cccc3ccoc23)C1
InChIInChI=1S/C13H16N2O3S/c1-15-7-5-11(9-15)14-19(16,17)12-4-2-3-10-6-8-18-13(10)12/h2-4,6,8,11,14H,5,7,9H2,1H3/t11-/m0/s1
InChIKeyUZZKWBMGESNEGA-NSHDSACASA-N
MW280.35 g/mol
LogP1.42
Rot. Bonds3

About N-[(3S)-1-methylpyrrolidin-3-yl]-1-benzofuran-7-sulfonamide

N-[(3S)-1-methylpyrrolidin-3-yl]-1-benzofuran-7-sulfonamide (PubChem CID 164641167) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[(3S)-1-methylpyrrolidin-3-yl]-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-methylpyrrolidin-3-yl]-1-benzofuran-7-sulfonamide
PubChem CID164641167
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-[(3S)-1-methylpyrrolidin-3-yl]-1-benzofuran-7-sulfonamide
SMILESCN1CC[C@H](NS(=O)(=O)c2cccc3ccoc23)C1
InChIInChI=1S/C13H16N2O3S/c1-15-7-5-11(9-15)14-19(16,17)12-4-2-3-10-6-8-18-13(10)12/h2-4,6,8,11,14H,5,7,9H2,1H3/t11-/m0/s1
InChIKeyUZZKWBMGESNEGA-NSHDSACASA-N
XLogP1.42
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Benzofuran-2-ylsulfonyl)-4-ethyl-1,4-diazepane
CID 71858318
2-methyl-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1-benzofuran-5-sulfonamide
CID 57399481
US11787802, Example 137
CID 169489701
1-(1-Benzofuran-2-ylsulfonyl)pyrrolidine
CID 71973607
[1-(1-Benzofuran-7-ylsulfonyl)-4-fluoropyrrolidin-2-yl]methanol
CID 128576886
N-[(3S)-1-cycloheptylpiperidin-3-yl]-1-benzofuran-2-sulfonamide
CID 95720730
5-(1-Benzofuran-7-ylsulfonyl)-8-oxa-5-azaspiro[3.5]nonane
CID 128574553
1-(1-Benzofuran-7-ylsulfonyl)-3-ethylazetidine
CID 128775195
N-[(3S)-1-(1-benzofuran-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
CID 164634528
N-[(4S)-8-oxaspiro[4.5]decan-4-yl]-1-benzofuran-7-sulfonamide
CID 164635694
1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]-N-methylpiperidin-3-amine
CID 120715050
(3S,4R)-1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]-4-phenylpyrrolidin-3-amine
CID 120766751

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-methylpyrrolidin-3-yl]-1-benzofuran-7-sulfonamide?
The IUPAC name of N-[(3S)-1-methylpyrrolidin-3-yl]-1-benzofuran-7-sulfonamide (CID 164641167) is N-[(3S)-1-methylpyrrolidin-3-yl]-1-benzofuran-7-sulfonamide.
What is the SMILES notation for N-[(3S)-1-methylpyrrolidin-3-yl]-1-benzofuran-7-sulfonamide?
The canonical SMILES for N-[(3S)-1-methylpyrrolidin-3-yl]-1-benzofuran-7-sulfonamide is CN1CC[C@H](NS(=O)(=O)c2cccc3ccoc23)C1.
What is the InChIKey of N-[(3S)-1-methylpyrrolidin-3-yl]-1-benzofuran-7-sulfonamide?
The InChIKey is UZZKWBMGESNEGA-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-15-7-5-11(9-15)14-19(16,17)12-4-2-3-10-6-8-18-13(10)12/h2-4,6,8,11,14H,5,7,9H2,1H3/t11-/m0/s1.
What are the key properties of N-[(3S)-1-methylpyrrolidin-3-yl]-1-benzofuran-7-sulfonamide?
N-[(3S)-1-methylpyrrolidin-3-yl]-1-benzofuran-7-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-methylpyrrolidin-3-yl]-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 164641167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).