1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide

C16H16ClNO3S — CID 110787136

IUPAC1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H16ClNO3S/c17-15-4-1-12(2-5-15)11-22(19,20)18-10-13-3-6-16-14(9-13)7-8-21-16/h1-6,9,18H,7-8,10-11H2
InChIKeyQBNXQHLMXLOWEV-UHFFFAOYSA-N
MW337.83 g/mol
LogP2.89
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide

1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide (PubChem CID 110787136) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide
PubChem CID110787136
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H16ClNO3S/c17-15-4-1-12(2-5-15)11-22(19,20)18-10-13-3-6-16-14(9-13)7-8-21-16/h1-6,9,18H,7-8,10-11H2
InChIKeyQBNXQHLMXLOWEV-UHFFFAOYSA-N
XLogP2.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide
CID 110787105
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]ethanesulfonamide
CID 126790796
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,3-benzodioxole-5-sulfonamide
CID 110787123
4-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-iodoaniline
CID 107631667
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide
CID 110787130
4-N-cyclopropyl-1-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzene-1,4-disulfonamide
CID 70828500
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline
CID 43804025
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110787143
4-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-nitroaniline
CID 43804323
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-2-methylbenzenesulfonamide
CID 110787117
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide (CID 110787136) is 1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1)NCc1ccc2c(c1)CCO2.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide?
The InChIKey is QBNXQHLMXLOWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c17-15-4-1-12(2-5-15)11-22(19,20)18-10-13-3-6-16-14(9-13)7-8-21-16/h1-6,9,18H,7-8,10-11H2.
What are the key properties of 1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide?
1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide has a molecular weight of 337.83 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide is sourced from PubChem (CID 110787136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).