N-[2-(1-benzofuran-3-yl)ethyl]-4-methylbenzenesulfonamide

C17H17NO3S — CID 90143349

IUPACN-[2-(1-benzofuran-3-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2coc3ccccc23)cc1
InChIInChI=1S/C17H17NO3S/c1-13-6-8-15(9-7-13)22(19,20)18-11-10-14-12-21-17-5-3-2-4-16(14)17/h2-9,12,18H,10-11H2,1H3
InChIKeyOSQPYMYNSZZVDS-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.26
Rot. Bonds5

About N-[2-(1-benzofuran-3-yl)ethyl]-4-methylbenzenesulfonamide

N-[2-(1-benzofuran-3-yl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 90143349) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[2-(1-benzofuran-3-yl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-3-yl)ethyl]-4-methylbenzenesulfonamide
PubChem CID90143349
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC NameN-[2-(1-benzofuran-3-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2coc3ccccc23)cc1
InChIInChI=1S/C17H17NO3S/c1-13-6-8-15(9-7-13)22(19,20)18-11-10-14-12-21-17-5-3-2-4-16(14)17/h2-9,12,18H,10-11H2,1H3
InChIKeyOSQPYMYNSZZVDS-UHFFFAOYSA-N
XLogP3.26
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-3-yl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(1-benzofuran-3-yl)ethyl]-4-methylbenzenesulfonamide (CID 90143349) is N-[2-(1-benzofuran-3-yl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1-benzofuran-3-yl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(1-benzofuran-3-yl)ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2coc3ccccc23)cc1.
What is the InChIKey of N-[2-(1-benzofuran-3-yl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is OSQPYMYNSZZVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-13-6-8-15(9-7-13)22(19,20)18-11-10-14-12-21-17-5-3-2-4-16(14)17/h2-9,12,18H,10-11H2,1H3.
What are the key properties of N-[2-(1-benzofuran-3-yl)ethyl]-4-methylbenzenesulfonamide?
N-[2-(1-benzofuran-3-yl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 315.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-3-yl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 90143349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).