5-[(3-chlorophenyl)sulfinylmethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

C19H15ClFNO3S — CID 22554499

IUPAC5-[(3-chlorophenyl)sulfinylmethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(CS(=O)c2cccc(Cl)c2)o1
InChIInChI=1S/C19H15ClFNO3S/c20-14-2-1-3-17(10-14)26(24)12-16-8-9-18(25-16)19(23)22-11-13-4-6-15(21)7-5-13/h1-10H,11-12H2,(H,22,23)
InChIKeyRSUFNIUIRTYNRA-UHFFFAOYSA-N
MW391.85 g/mol
LogP4.31
Rot. Bonds6

About 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

5-[(3-chlorophenyl)sulfinylmethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (PubChem CID 22554499) has the molecular formula C19H15ClFNO3S and a molecular weight of 391.85 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorophenyl)sulfinylmethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
PubChem CID22554499
Molecular FormulaC19H15ClFNO3S
Molecular Weight391.85 g/mol
Exact Mass391.04
IUPAC Name5-[(3-chlorophenyl)sulfinylmethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(CS(=O)c2cccc(Cl)c2)o1
InChIInChI=1S/C19H15ClFNO3S/c20-14-2-1-3-17(10-14)26(24)12-16-8-9-18(25-16)19(23)22-11-13-4-6-15(21)7-5-13/h1-10H,11-12H2,(H,22,23)
InChIKeyRSUFNIUIRTYNRA-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-[(3-fluorophenyl)methyl]furan-2-carboxamide
CID 22554522
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-[(2-bromophenyl)methyl]-5-[[(R)-(4-fluorophenyl)sulfinyl]methyl]furan-2-carboxamide
CID 92687530
N-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554587
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
5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide
CID 20859472
N-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554736
N-methyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554432
N-benzyl-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 5085443
N-butyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554431

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (CID 22554499) is 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc(CS(=O)c2cccc(Cl)c2)o1.
What is the InChIKey of 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The InChIKey is RSUFNIUIRTYNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO3S/c20-14-2-1-3-17(10-14)26(24)12-16-8-9-18(25-16)19(23)22-11-13-4-6-15(21)7-5-13/h1-10H,11-12H2,(H,22,23).
What are the key properties of 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(4-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-[(4-fluorophenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 22554499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).