(E)-N-(2-bromo-6-fluorophenyl)-2-(4-chlorophenyl)ethenesulfonamide

C14H10BrClFNO2S — CID 75362725

IUPAC(E)-N-(2-bromo-6-fluorophenyl)-2-(4-chlorophenyl)ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1c(F)cccc1Br
InChIInChI=1S/C14H10BrClFNO2S/c15-12-2-1-3-13(17)14(12)18-21(19,20)9-8-10-4-6-11(16)7-5-10/h1-9,18H/b9-8+
InChIKeyKIAVGFJNBFLNCU-CMDGGOBGSA-N
MW390.66 g/mol
LogP4.65
Rot. Bonds4

About (E)-N-(2-bromo-6-fluorophenyl)-2-(4-chlorophenyl)ethenesulfonamide

(E)-N-(2-bromo-6-fluorophenyl)-2-(4-chlorophenyl)ethenesulfonamide (PubChem CID 75362725) has the molecular formula C14H10BrClFNO2S and a molecular weight of 390.66 g/mol. Its IUPAC name is (E)-N-(2-bromo-6-fluorophenyl)-2-(4-chlorophenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(2-bromo-6-fluorophenyl)-2-(4-chlorophenyl)ethenesulfonamide
PubChem CID75362725
Molecular FormulaC14H10BrClFNO2S
Molecular Weight390.66 g/mol
Exact Mass388.93
IUPAC Name(E)-N-(2-bromo-6-fluorophenyl)-2-(4-chlorophenyl)ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1c(F)cccc1Br
InChIInChI=1S/C14H10BrClFNO2S/c15-12-2-1-3-13(17)14(12)18-21(19,20)9-8-10-4-6-11(16)7-5-10/h1-9,18H/b9-8+
InChIKeyKIAVGFJNBFLNCU-CMDGGOBGSA-N
XLogP4.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.66
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-bromo-6-fluorophenyl)-2-(4-chlorophenyl)ethenesulfonamide?
The IUPAC name of (E)-N-(2-bromo-6-fluorophenyl)-2-(4-chlorophenyl)ethenesulfonamide (CID 75362725) is (E)-N-(2-bromo-6-fluorophenyl)-2-(4-chlorophenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-(2-bromo-6-fluorophenyl)-2-(4-chlorophenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-(2-bromo-6-fluorophenyl)-2-(4-chlorophenyl)ethenesulfonamide is O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1c(F)cccc1Br.
What is the InChIKey of (E)-N-(2-bromo-6-fluorophenyl)-2-(4-chlorophenyl)ethenesulfonamide?
The InChIKey is KIAVGFJNBFLNCU-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H10BrClFNO2S/c15-12-2-1-3-13(17)14(12)18-21(19,20)9-8-10-4-6-11(16)7-5-10/h1-9,18H/b9-8+.
What are the key properties of (E)-N-(2-bromo-6-fluorophenyl)-2-(4-chlorophenyl)ethenesulfonamide?
(E)-N-(2-bromo-6-fluorophenyl)-2-(4-chlorophenyl)ethenesulfonamide has a molecular weight of 390.66 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-bromo-6-fluorophenyl)-2-(4-chlorophenyl)ethenesulfonamide is sourced from PubChem (CID 75362725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).