5-(benzenesulfonylmethyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide

C19H16FNO4S — CID 26696587

IUPAC5-(benzenesulfonylmethyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C19H16FNO4S/c1-13-7-8-14(20)11-17(13)21-19(22)18-10-9-15(25-18)12-26(23,24)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,21,22)
InChIKeyJUBKIQKZYWAWSR-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.95
Rot. Bonds5

About 5-(benzenesulfonylmethyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide (PubChem CID 26696587) has the molecular formula C19H16FNO4S and a molecular weight of 373.41 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
PubChem CID26696587
Molecular FormulaC19H16FNO4S
Molecular Weight373.41 g/mol
Exact Mass373.08
IUPAC Name5-(benzenesulfonylmethyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C19H16FNO4S/c1-13-7-8-14(20)11-17(13)21-19(22)18-10-9-15(25-18)12-26(23,24)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,21,22)
InChIKeyJUBKIQKZYWAWSR-UHFFFAOYSA-N
XLogP3.95
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 27167042
5-(benzenesulfonylmethyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]furan-2-carboxamide
CID 26520481
5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 26579656
5-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 26584463
5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide
CID 32638148
5-(benzenesulfonylmethyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide
CID 27812757
5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide
CID 56522776
5-(2-chlorophenyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 9077694
3-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 75429137
5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide
CID 46590352
5-(benzenesulfonylmethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 17403780
5-(benzenesulfonylmethyl)-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 55488951

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide (CID 26696587) is 5-(benzenesulfonylmethyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide is Cc1ccc(F)cc1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide?
The InChIKey is JUBKIQKZYWAWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4S/c1-13-7-8-14(20)11-17(13)21-19(22)18-10-9-15(25-18)12-26(23,24)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of 5-(benzenesulfonylmethyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 26696587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).