N-(furan-2-ylmethyl)-7-methylnaphthalene-2-sulfonamide

C16H15NO3S — CID 691572

IUPACN-(furan-2-ylmethyl)-7-methylnaphthalene-2-sulfonamide
SMILESCc1ccc2ccc(S(=O)(=O)NCc3ccco3)cc2c1
InChIInChI=1S/C16H15NO3S/c1-12-4-5-13-6-7-16(10-14(13)9-12)21(18,19)17-11-15-3-2-8-20-15/h2-10,17H,11H2,1H3
InChIKeySCRFCUCFNMJIFP-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.22
Rot. Bonds4

About N-(furan-2-ylmethyl)-7-methylnaphthalene-2-sulfonamide

N-(furan-2-ylmethyl)-7-methylnaphthalene-2-sulfonamide (PubChem CID 691572) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-7-methylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-7-methylnaphthalene-2-sulfonamide
PubChem CID691572
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC NameN-(furan-2-ylmethyl)-7-methylnaphthalene-2-sulfonamide
SMILESCc1ccc2ccc(S(=O)(=O)NCc3ccco3)cc2c1
InChIInChI=1S/C16H15NO3S/c1-12-4-5-13-6-7-16(10-14(13)9-12)21(18,19)17-11-15-3-2-8-20-15/h2-10,17H,11H2,1H3
InChIKeySCRFCUCFNMJIFP-UHFFFAOYSA-N
XLogP3.22
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-7-methylnaphthalene-2-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-7-methylnaphthalene-2-sulfonamide (CID 691572) is N-(furan-2-ylmethyl)-7-methylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-7-methylnaphthalene-2-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-7-methylnaphthalene-2-sulfonamide is Cc1ccc2ccc(S(=O)(=O)NCc3ccco3)cc2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-7-methylnaphthalene-2-sulfonamide?
The InChIKey is SCRFCUCFNMJIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-12-4-5-13-6-7-16(10-14(13)9-12)21(18,19)17-11-15-3-2-8-20-15/h2-10,17H,11H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-7-methylnaphthalene-2-sulfonamide?
N-(furan-2-ylmethyl)-7-methylnaphthalene-2-sulfonamide has a molecular weight of 301.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-7-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 691572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).