N-[5-(5-cyanofuran-2-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide

C19H16N2O4S — CID 154073599

IUPACN-[5-(5-cyanofuran-2-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide
SMILESCc1ccc(-c2ccc(C#N)o2)cc1N(C)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C19H16N2O4S/c1-13-3-4-14(19-10-7-16(12-20)25-19)11-18(13)21(2)26(23,24)17-8-5-15(22)6-9-17/h3-11,22H,1-2H3
InChIKeyMLEBHFFZHJUJQA-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.66
Rot. Bonds4

About N-[5-(5-cyanofuran-2-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide

N-[5-(5-cyanofuran-2-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide (PubChem CID 154073599) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[5-(5-cyanofuran-2-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(5-cyanofuran-2-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide
PubChem CID154073599
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC NameN-[5-(5-cyanofuran-2-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide
SMILESCc1ccc(-c2ccc(C#N)o2)cc1N(C)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C19H16N2O4S/c1-13-3-4-14(19-10-7-16(12-20)25-19)11-18(13)21(2)26(23,24)17-8-5-15(22)6-9-17/h3-11,22H,1-2H3
InChIKeyMLEBHFFZHJUJQA-UHFFFAOYSA-N
XLogP3.66
TPSA94.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-cyanofuran-2-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide?
The IUPAC name of N-[5-(5-cyanofuran-2-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide (CID 154073599) is N-[5-(5-cyanofuran-2-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(5-cyanofuran-2-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(5-cyanofuran-2-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide is Cc1ccc(-c2ccc(C#N)o2)cc1N(C)S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of N-[5-(5-cyanofuran-2-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide?
The InChIKey is MLEBHFFZHJUJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-13-3-4-14(19-10-7-16(12-20)25-19)11-18(13)21(2)26(23,24)17-8-5-15(22)6-9-17/h3-11,22H,1-2H3.
What are the key properties of N-[5-(5-cyanofuran-2-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide?
N-[5-(5-cyanofuran-2-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide has a molecular weight of 368.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-cyanofuran-2-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 154073599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).