5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide

C19H15ClFNO3S — CID 22554522

IUPAC5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(CS(=O)c2cccc(Cl)c2)o1
InChIInChI=1S/C19H15ClFNO3S/c20-14-4-2-6-17(10-14)26(24)12-16-7-8-18(25-16)19(23)22-11-13-3-1-5-15(21)9-13/h1-10H,11-12H2,(H,22,23)
InChIKeyMZOXBLYORTUOMI-UHFFFAOYSA-N
MW391.85 g/mol
LogP4.31
Rot. Bonds6

About 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide

5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide (PubChem CID 22554522) has the molecular formula C19H15ClFNO3S and a molecular weight of 391.85 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
PubChem CID22554522
Molecular FormulaC19H15ClFNO3S
Molecular Weight391.85 g/mol
Exact Mass391.04
IUPAC Name5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(CS(=O)c2cccc(Cl)c2)o1
InChIInChI=1S/C19H15ClFNO3S/c20-14-4-2-6-17(10-14)26(24)12-16-7-8-18(25-16)19(23)22-11-13-3-1-5-15(21)9-13/h1-10H,11-12H2,(H,22,23)
InChIKeyMZOXBLYORTUOMI-UHFFFAOYSA-N
XLogP4.31
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-chlorophenyl)sulfinylmethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 22554499
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 22554498
5-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 92687419
N-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554736
N-[2-(4-chlorophenyl)ethyl]-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554411
5-[(3-chlorophenyl)methylsulfinylmethyl]-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide
CID 20899478
N-[(3-bromophenyl)methyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554770
N-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554587
5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide
CID 20859472
tert-butyl N-[[5-[(3-fluorophenyl)methylcarbamoyl]furan-2-yl]methyl]carbamate
CID 71995210
N-[(2-bromophenyl)methyl]-5-[[(R)-(4-fluorophenyl)sulfinyl]methyl]furan-2-carboxamide
CID 92687530
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide (CID 22554522) is 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide is O=C(NCc1cccc(F)c1)c1ccc(CS(=O)c2cccc(Cl)c2)o1.
What is the InChIKey of 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide?
The InChIKey is MZOXBLYORTUOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO3S/c20-14-4-2-6-17(10-14)26(24)12-16-7-8-18(25-16)19(23)22-11-13-3-1-5-15(21)9-13/h1-10H,11-12H2,(H,22,23).
What are the key properties of 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide?
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide has a molecular weight of 391.85 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 22554522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).