1-cyano-N-(4-fluorophenyl)-2-(1H-indol-3-yl)ethenesulfonamide

C17H12FN3O2S — CID 68944850

IUPAC1-cyano-N-(4-fluorophenyl)-2-(1H-indol-3-yl)ethenesulfonamide
SMILESN#CC(=Cc1c[nH]c2ccccc12)S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H12FN3O2S/c18-13-5-7-14(8-6-13)21-24(22,23)15(10-19)9-12-11-20-17-4-2-1-3-16(12)17/h1-9,11,20-21H
InChIKeyZPVRQDFLYVSCQO-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.61
Rot. Bonds4

About 1-cyano-N-(4-fluorophenyl)-2-(1H-indol-3-yl)ethenesulfonamide

1-cyano-N-(4-fluorophenyl)-2-(1H-indol-3-yl)ethenesulfonamide (PubChem CID 68944850) has the molecular formula C17H12FN3O2S and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-cyano-N-(4-fluorophenyl)-2-(1H-indol-3-yl)ethenesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(4-fluorophenyl)-2-(1H-indol-3-yl)ethenesulfonamide
PubChem CID68944850
Molecular FormulaC17H12FN3O2S
Molecular Weight341.37 g/mol
Exact Mass341.06
IUPAC Name1-cyano-N-(4-fluorophenyl)-2-(1H-indol-3-yl)ethenesulfonamide
SMILESN#CC(=Cc1c[nH]c2ccccc12)S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H12FN3O2S/c18-13-5-7-14(8-6-13)21-24(22,23)15(10-19)9-12-11-20-17-4-2-1-3-16(12)17/h1-9,11,20-21H
InChIKeyZPVRQDFLYVSCQO-UHFFFAOYSA-N
XLogP3.61
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(2-chlorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide
CID 68946458
(Z)-1-cyano-2-(2,4-difluorophenyl)-N-(4-fluorophenyl)ethenesulfonamide
CID 68940144
(E)-2-cyano-N-[4-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]phenyl]-3-(1H-indol-3-yl)prop-2-enamide
CID 1181989
2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide
CID 959247
N-(4-bromophenyl)-1-cyano-2-(2-hydroxyphenyl)ethenesulfonamide
CID 68944799
(Z)-1-cyano-N-(4-fluorophenyl)-2-(3-methylthiophen-2-yl)ethenesulfonamide
CID 68948587
(E)-2-(3-chloro-4-fluorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide
CID 25052637
(Z)-N-(4-chlorophenyl)-2-cyano-3-(1H-indol-3-yl)prop-2-enamide
CID 760976
(E)-2-cyano-3-(1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 876651
2-(2-chlorophenyl)-3-(1H-indol-3-yl)prop-2-enenitrile
CID 3893073
(Z)-3-(1H-indol-3-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
CID 2390471
(Z)-2-fluoro-3-(1H-indol-3-yl)prop-2-enoic acid
CID 67920432

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(4-fluorophenyl)-2-(1H-indol-3-yl)ethenesulfonamide?
The IUPAC name of 1-cyano-N-(4-fluorophenyl)-2-(1H-indol-3-yl)ethenesulfonamide (CID 68944850) is 1-cyano-N-(4-fluorophenyl)-2-(1H-indol-3-yl)ethenesulfonamide.
What is the SMILES notation for 1-cyano-N-(4-fluorophenyl)-2-(1H-indol-3-yl)ethenesulfonamide?
The canonical SMILES for 1-cyano-N-(4-fluorophenyl)-2-(1H-indol-3-yl)ethenesulfonamide is N#CC(=Cc1c[nH]c2ccccc12)S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-cyano-N-(4-fluorophenyl)-2-(1H-indol-3-yl)ethenesulfonamide?
The InChIKey is ZPVRQDFLYVSCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2S/c18-13-5-7-14(8-6-13)21-24(22,23)15(10-19)9-12-11-20-17-4-2-1-3-16(12)17/h1-9,11,20-21H.
What are the key properties of 1-cyano-N-(4-fluorophenyl)-2-(1H-indol-3-yl)ethenesulfonamide?
1-cyano-N-(4-fluorophenyl)-2-(1H-indol-3-yl)ethenesulfonamide has a molecular weight of 341.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(4-fluorophenyl)-2-(1H-indol-3-yl)ethenesulfonamide is sourced from PubChem (CID 68944850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).