(E)-N-(4-fluoro-2-sulfinamoylphenyl)-2-[4-(furan-2-yl)phenyl]ethenesulfonamide

C18H15FN2O4S2 — CID 143826033

IUPAC(E)-N-(4-fluoro-2-sulfinamoylphenyl)-2-[4-(furan-2-yl)phenyl]ethenesulfonamide
SMILESNS(=O)c1cc(F)ccc1NS(=O)(=O)/C=C/c1ccc(-c2ccco2)cc1
InChIInChI=1S/C18H15FN2O4S2/c19-15-7-8-16(18(12-15)26(20)22)21-27(23,24)11-9-13-3-5-14(6-4-13)17-2-1-10-25-17/h1-12,21H,20H2/b11-9+
InChIKeyBSYLKALSIPCACC-PKNBQFBNSA-N
MW406.46 g/mol
LogP3.48
Rot. Bonds6

About (E)-N-(4-fluoro-2-sulfinamoylphenyl)-2-[4-(furan-2-yl)phenyl]ethenesulfonamide

(E)-N-(4-fluoro-2-sulfinamoylphenyl)-2-[4-(furan-2-yl)phenyl]ethenesulfonamide (PubChem CID 143826033) has the molecular formula C18H15FN2O4S2 and a molecular weight of 406.46 g/mol. Its IUPAC name is (E)-N-(4-fluoro-2-sulfinamoylphenyl)-2-[4-(furan-2-yl)phenyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(4-fluoro-2-sulfinamoylphenyl)-2-[4-(furan-2-yl)phenyl]ethenesulfonamide
PubChem CID143826033
Molecular FormulaC18H15FN2O4S2
Molecular Weight406.46 g/mol
Exact Mass406.05
IUPAC Name(E)-N-(4-fluoro-2-sulfinamoylphenyl)-2-[4-(furan-2-yl)phenyl]ethenesulfonamide
SMILESNS(=O)c1cc(F)ccc1NS(=O)(=O)/C=C/c1ccc(-c2ccco2)cc1
InChIInChI=1S/C18H15FN2O4S2/c19-15-7-8-16(18(12-15)26(20)22)21-27(23,24)11-9-13-3-5-14(6-4-13)17-2-1-10-25-17/h1-12,21H,20H2/b11-9+
InChIKeyBSYLKALSIPCACC-PKNBQFBNSA-N
XLogP3.48
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-fluoro-2-sulfinamoylphenyl)-2-[4-(furan-2-yl)phenyl]ethenesulfonamide?
The IUPAC name of (E)-N-(4-fluoro-2-sulfinamoylphenyl)-2-[4-(furan-2-yl)phenyl]ethenesulfonamide (CID 143826033) is (E)-N-(4-fluoro-2-sulfinamoylphenyl)-2-[4-(furan-2-yl)phenyl]ethenesulfonamide.
What is the SMILES notation for (E)-N-(4-fluoro-2-sulfinamoylphenyl)-2-[4-(furan-2-yl)phenyl]ethenesulfonamide?
The canonical SMILES for (E)-N-(4-fluoro-2-sulfinamoylphenyl)-2-[4-(furan-2-yl)phenyl]ethenesulfonamide is NS(=O)c1cc(F)ccc1NS(=O)(=O)/C=C/c1ccc(-c2ccco2)cc1.
What is the InChIKey of (E)-N-(4-fluoro-2-sulfinamoylphenyl)-2-[4-(furan-2-yl)phenyl]ethenesulfonamide?
The InChIKey is BSYLKALSIPCACC-PKNBQFBNSA-N. The full InChI is InChI=1S/C18H15FN2O4S2/c19-15-7-8-16(18(12-15)26(20)22)21-27(23,24)11-9-13-3-5-14(6-4-13)17-2-1-10-25-17/h1-12,21H,20H2/b11-9+.
What are the key properties of (E)-N-(4-fluoro-2-sulfinamoylphenyl)-2-[4-(furan-2-yl)phenyl]ethenesulfonamide?
(E)-N-(4-fluoro-2-sulfinamoylphenyl)-2-[4-(furan-2-yl)phenyl]ethenesulfonamide has a molecular weight of 406.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-fluoro-2-sulfinamoylphenyl)-2-[4-(furan-2-yl)phenyl]ethenesulfonamide is sourced from PubChem (CID 143826033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).