N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide

C16H17NO3S — CID 110787130

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C16H17NO3S/c1-12-3-2-4-15(9-12)21(18,19)17-11-13-5-6-16-14(10-13)7-8-20-16/h2-6,9-10,17H,7-8,11H2,1H3
InChIKeyKPGMPRGOVFENNF-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.41
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide (PubChem CID 110787130) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide
PubChem CID110787130
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C16H17NO3S/c1-12-3-2-4-15(9-12)21(18,19)17-11-13-5-6-16-14(10-13)7-8-20-16/h2-6,9-10,17H,7-8,11H2,1H3
InChIKeyKPGMPRGOVFENNF-UHFFFAOYSA-N
XLogP2.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705600
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,3-benzodioxole-5-sulfonamide
CID 110787123
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide
CID 110787105
N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178750
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide
CID 105357704
4-N-cyclopropyl-1-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzene-1,4-disulfonamide
CID 70828500
N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39984880
N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 3714590
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-2-methylbenzenesulfonamide
CID 110787117
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110787143
N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178731
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 110787119

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide (CID 110787130) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCc2ccc3c(c2)CCO3)c1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide?
The InChIKey is KPGMPRGOVFENNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-12-3-2-4-15(9-12)21(18,19)17-11-13-5-6-16-14(10-13)7-8-20-16/h2-6,9-10,17H,7-8,11H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide has a molecular weight of 303.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 110787130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).