N-(furan-2-ylmethyl)-4-(4-methylphenyl)benzenesulfonamide

C18H17NO3S — CID 890678

IUPACN-(furan-2-ylmethyl)-4-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C18H17NO3S/c1-14-4-6-15(7-5-14)16-8-10-18(11-9-16)23(20,21)19-13-17-3-2-12-22-17/h2-12,19H,13H2,1H3
InChIKeyGNLAPWMSBDFCIV-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.73
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-(4-methylphenyl)benzenesulfonamide

N-(furan-2-ylmethyl)-4-(4-methylphenyl)benzenesulfonamide (PubChem CID 890678) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(4-methylphenyl)benzenesulfonamide
PubChem CID890678
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC NameN-(furan-2-ylmethyl)-4-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C18H17NO3S/c1-14-4-6-15(7-5-14)16-8-10-18(11-9-16)23(20,21)19-13-17-3-2-12-22-17/h2-12,19H,13H2,1H3
InChIKeyGNLAPWMSBDFCIV-UHFFFAOYSA-N
XLogP3.73
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.73
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)-4-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(4-methylphenyl)benzenesulfonamide (CID 890678) is N-(furan-2-ylmethyl)-4-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(4-methylphenyl)benzenesulfonamide is Cc1ccc(-c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(4-methylphenyl)benzenesulfonamide?
The InChIKey is GNLAPWMSBDFCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-14-4-6-15(7-5-14)16-8-10-18(11-9-16)23(20,21)19-13-17-3-2-12-22-17/h2-12,19H,13H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-4-(4-methylphenyl)benzenesulfonamide?
N-(furan-2-ylmethyl)-4-(4-methylphenyl)benzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 890678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).