(Z)-1-cyano-N-(4-fluorophenyl)-2-(3-methylthiophen-2-yl)ethenesulfonamide

C14H11FN2O2S2 — CID 68948587

IUPAC(Z)-1-cyano-N-(4-fluorophenyl)-2-(3-methylthiophen-2-yl)ethenesulfonamide
SMILESCc1ccsc1/C=C(/C#N)S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H11FN2O2S2/c1-10-6-7-20-14(10)8-13(9-16)21(18,19)17-12-4-2-11(15)3-5-12/h2-8,17H,1H3/b13-8-
InChIKeyOKNHGVFCFXCGPN-JYRVWZFOSA-N
MW322.39 g/mol
LogP3.50
Rot. Bonds4

About (Z)-1-cyano-N-(4-fluorophenyl)-2-(3-methylthiophen-2-yl)ethenesulfonamide

(Z)-1-cyano-N-(4-fluorophenyl)-2-(3-methylthiophen-2-yl)ethenesulfonamide (PubChem CID 68948587) has the molecular formula C14H11FN2O2S2 and a molecular weight of 322.39 g/mol. Its IUPAC name is (Z)-1-cyano-N-(4-fluorophenyl)-2-(3-methylthiophen-2-yl)ethenesulfonamide.

Molecular Properties

Compound Name(Z)-1-cyano-N-(4-fluorophenyl)-2-(3-methylthiophen-2-yl)ethenesulfonamide
PubChem CID68948587
Molecular FormulaC14H11FN2O2S2
Molecular Weight322.39 g/mol
Exact Mass322.02
IUPAC Name(Z)-1-cyano-N-(4-fluorophenyl)-2-(3-methylthiophen-2-yl)ethenesulfonamide
SMILESCc1ccsc1/C=C(/C#N)S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H11FN2O2S2/c1-10-6-7-20-14(10)8-13(9-16)21(18,19)17-12-4-2-11(15)3-5-12/h2-8,17H,1H3/b13-8-
InChIKeyOKNHGVFCFXCGPN-JYRVWZFOSA-N
XLogP3.50
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyano-N-(4-fluorophenyl)-2-(3-methylthiophen-2-yl)ethenesulfonamide?
The IUPAC name of (Z)-1-cyano-N-(4-fluorophenyl)-2-(3-methylthiophen-2-yl)ethenesulfonamide (CID 68948587) is (Z)-1-cyano-N-(4-fluorophenyl)-2-(3-methylthiophen-2-yl)ethenesulfonamide.
What is the SMILES notation for (Z)-1-cyano-N-(4-fluorophenyl)-2-(3-methylthiophen-2-yl)ethenesulfonamide?
The canonical SMILES for (Z)-1-cyano-N-(4-fluorophenyl)-2-(3-methylthiophen-2-yl)ethenesulfonamide is Cc1ccsc1/C=C(/C#N)S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of (Z)-1-cyano-N-(4-fluorophenyl)-2-(3-methylthiophen-2-yl)ethenesulfonamide?
The InChIKey is OKNHGVFCFXCGPN-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H11FN2O2S2/c1-10-6-7-20-14(10)8-13(9-16)21(18,19)17-12-4-2-11(15)3-5-12/h2-8,17H,1H3/b13-8-.
What are the key properties of (Z)-1-cyano-N-(4-fluorophenyl)-2-(3-methylthiophen-2-yl)ethenesulfonamide?
(Z)-1-cyano-N-(4-fluorophenyl)-2-(3-methylthiophen-2-yl)ethenesulfonamide has a molecular weight of 322.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyano-N-(4-fluorophenyl)-2-(3-methylthiophen-2-yl)ethenesulfonamide is sourced from PubChem (CID 68948587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).