N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C16H24N2O3S — CID 94605722

IUPACN-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESC[C@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)CN1CCCC1
InChIInChI=1S/C16H24N2O3S/c1-13(12-18-7-2-3-8-18)11-17-22(19,20)15-4-5-16-14(10-15)6-9-21-16/h4-5,10,13,17H,2-3,6-9,11-12H2,1H3/t13-/m1/s1
InChIKeyZCXKEXFFTKZJCS-CYBMUJFWSA-N
MW324.45 g/mol
LogP1.63
Rot. Bonds6

About N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 94605722) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID94605722
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESC[C@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)CN1CCCC1
InChIInChI=1S/C16H24N2O3S/c1-13(12-18-7-2-3-8-18)11-17-22(19,20)15-4-5-16-14(10-15)6-9-21-16/h4-5,10,13,17H,2-3,6-9,11-12H2,1H3/t13-/m1/s1
InChIKeyZCXKEXFFTKZJCS-CYBMUJFWSA-N
XLogP1.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60647656
3-amino-4-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 115329291
4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide
CID 51966450
3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 61060155
N-(2-ethylhexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46457555
4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 47062275
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 90625226
N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 97417544
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 90598926
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 90582457
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 55947980
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 65113392

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 94605722) is N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is C[C@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)CN1CCCC1.
What is the InChIKey of N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is ZCXKEXFFTKZJCS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-13(12-18-7-2-3-8-18)11-17-22(19,20)15-4-5-16-14(10-15)6-9-21-16/h4-5,10,13,17H,2-3,6-9,11-12H2,1H3/t13-/m1/s1.
What are the key properties of N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 94605722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).