N-[(2-methylcyclopropyl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C19H21NO3S — CID 86959959

IUPACN-[(2-methylcyclopropyl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC1CC1C(NS(=O)(=O)c1ccc2c(c1)CCO2)c1ccccc1
InChIInChI=1S/C19H21NO3S/c1-13-11-17(13)19(14-5-3-2-4-6-14)20-24(21,22)16-7-8-18-15(12-16)9-10-23-18/h2-8,12-13,17,19-20H,9-11H2,1H3
InChIKeyCPVASPZJNBGADD-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.30
Rot. Bonds5

About N-[(2-methylcyclopropyl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[(2-methylcyclopropyl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 86959959) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[(2-methylcyclopropyl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-methylcyclopropyl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID86959959
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC NameN-[(2-methylcyclopropyl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC1CC1C(NS(=O)(=O)c1ccc2c(c1)CCO2)c1ccccc1
InChIInChI=1S/C19H21NO3S/c1-13-11-17(13)19(14-5-3-2-4-6-14)20-24(21,22)16-7-8-18-15(12-16)9-10-23-18/h2-8,12-13,17,19-20H,9-11H2,1H3
InChIKeyCPVASPZJNBGADD-UHFFFAOYSA-N
XLogP3.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 100702660
N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60647656
4-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzenesulfonamide
CID 86959942
N-[1-(3-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51249276
N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807871
N-[(S)-(2-methylcyclopropyl)-phenylmethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164861832
N-(1-hydroxybutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 43501667
N-[(2S)-1-hydroxybutan-2-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 104981893
N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 65192981
2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
CID 154745833
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55361585
N-[(1S)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846846

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopropyl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[(2-methylcyclopropyl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 86959959) is N-[(2-methylcyclopropyl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[(2-methylcyclopropyl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[(2-methylcyclopropyl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is CC1CC1C(NS(=O)(=O)c1ccc2c(c1)CCO2)c1ccccc1.
What is the InChIKey of N-[(2-methylcyclopropyl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is CPVASPZJNBGADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-13-11-17(13)19(14-5-3-2-4-6-14)20-24(21,22)16-7-8-18-15(12-16)9-10-23-18/h2-8,12-13,17,19-20H,9-11H2,1H3.
What are the key properties of N-[(2-methylcyclopropyl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[(2-methylcyclopropyl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 343.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopropyl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 86959959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).