N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]-4-methylbenzenesulfonamide

C19H19NO5S — CID 169372273

IUPACN-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(-c2ccc(CO)o2)c(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H19NO5S/c1-13-3-7-16(8-4-13)26(22,23)20-18-11-14(24-2)5-9-17(18)19-10-6-15(12-21)25-19/h3-11,20-21H,12H2,1-2H3
InChIKeyKQGSAQHEBWXHEI-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.56
Rot. Bonds6

About N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]-4-methylbenzenesulfonamide

N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]-4-methylbenzenesulfonamide (PubChem CID 169372273) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]-4-methylbenzenesulfonamide
PubChem CID169372273
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC NameN-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(-c2ccc(CO)o2)c(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H19NO5S/c1-13-3-7-16(8-4-13)26(22,23)20-18-11-14(24-2)5-9-17(18)19-10-6-15(12-21)25-19/h3-11,20-21H,12H2,1-2H3
InChIKeyKQGSAQHEBWXHEI-UHFFFAOYSA-N
XLogP3.56
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide
CID 169370137
N-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-methylbenzenesulfonamide
CID 169371438
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130
5-[2-[(4-acetamidophenyl)sulfonylamino]-4-methoxyphenyl]furan-2-carboxylic acid
CID 91688158
N-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide
CID 171350497
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
N-[2-amino-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 11696675
N-[2-(3-methoxyphenyl)-5-nitrophenyl]-4-methylbenzenesulfonamide
CID 139253973
5-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]furan-2-carboxylic acid
CID 91688170
2-amino-N-[2-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide
CID 69193209
N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 43259140
(1Z)-2-amino-N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyanilino]-2-iminoethanimidoyl cyanide
CID 172978896

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]-4-methylbenzenesulfonamide (CID 169372273) is N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]-4-methylbenzenesulfonamide is COc1ccc(-c2ccc(CO)o2)c(NS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]-4-methylbenzenesulfonamide?
The InChIKey is KQGSAQHEBWXHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-13-3-7-16(8-4-13)26(22,23)20-18-11-14(24-2)5-9-17(18)19-10-6-15(12-21)25-19/h3-11,20-21H,12H2,1-2H3.
What are the key properties of N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]-4-methylbenzenesulfonamide?
N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]-4-methylbenzenesulfonamide has a molecular weight of 373.43 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169372273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).