3-cyano-N-(3-cyano-4-fluoro-1H-indol-7-yl)benzenesulfonamide

C16H9FN4O2S — CID 139366201

IUPAC3-cyano-N-(3-cyano-4-fluoro-1H-indol-7-yl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)c1
InChIInChI=1S/C16H9FN4O2S/c17-13-4-5-14(16-15(13)11(8-19)9-20-16)21-24(22,23)12-3-1-2-10(6-12)7-18/h1-6,9,20-21H
InChIKeyMXLFRRDADVHWGU-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.85
Rot. Bonds3

About 3-cyano-N-(3-cyano-4-fluoro-1H-indol-7-yl)benzenesulfonamide

3-cyano-N-(3-cyano-4-fluoro-1H-indol-7-yl)benzenesulfonamide (PubChem CID 139366201) has the molecular formula C16H9FN4O2S and a molecular weight of 340.34 g/mol. Its IUPAC name is 3-cyano-N-(3-cyano-4-fluoro-1H-indol-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(3-cyano-4-fluoro-1H-indol-7-yl)benzenesulfonamide
PubChem CID139366201
Molecular FormulaC16H9FN4O2S
Molecular Weight340.34 g/mol
Exact Mass340.04
IUPAC Name3-cyano-N-(3-cyano-4-fluoro-1H-indol-7-yl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)c1
InChIInChI=1S/C16H9FN4O2S/c17-13-4-5-14(16-15(13)11(8-19)9-20-16)21-24(22,23)12-3-1-2-10(6-12)7-18/h1-6,9,20-21H
InChIKeyMXLFRRDADVHWGU-UHFFFAOYSA-N
XLogP2.85
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

E 7820
CID 196970
N-(2-(3-Indolyl)ethyl)-P-toluenesulfonamide
CID 2737722
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
Dansyltryptamine
CID 582771
N-[2-(1H-Indol-3-yl)-ethyl]4-pentyl-benzenesulfonamide
CID 3775371
2-[1-(benzenesulfonyl)-1H-indol-3-yl]ethan-1-amine
CID 21071574
N-[3-(1H-indol-3-yl)propyl]-4-pentylbenzene-1-sulfonamide
CID 24825393
N-[4-(1H-indol-3-yl)butyl]-4-pentylbenzene-1-sulfonamide
CID 24825394
5-Vinyl-3-pyridinecarbonitrile, 43
CID 44473025
Biphenyl-4-sulfonic acid [3-(2-dimethylamino-ethyl)-1H-indol-5-yl]-amide
CID 10112810
Biphenyl-4-sulfonic acid [3-(2-diethylamino-ethyl)-1H-indol-5-yl]-amide
CID 10182228
(S)-N-(3-(1-cyclopropyl-1-(2,4-difluorophenyl)ethyl)-1H-indol-7-yl)methanesulfonamide
CID 24749808

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(3-cyano-4-fluoro-1H-indol-7-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(3-cyano-4-fluoro-1H-indol-7-yl)benzenesulfonamide (CID 139366201) is 3-cyano-N-(3-cyano-4-fluoro-1H-indol-7-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(3-cyano-4-fluoro-1H-indol-7-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(3-cyano-4-fluoro-1H-indol-7-yl)benzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)c1.
What is the InChIKey of 3-cyano-N-(3-cyano-4-fluoro-1H-indol-7-yl)benzenesulfonamide?
The InChIKey is MXLFRRDADVHWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN4O2S/c17-13-4-5-14(16-15(13)11(8-19)9-20-16)21-24(22,23)12-3-1-2-10(6-12)7-18/h1-6,9,20-21H.
What are the key properties of 3-cyano-N-(3-cyano-4-fluoro-1H-indol-7-yl)benzenesulfonamide?
3-cyano-N-(3-cyano-4-fluoro-1H-indol-7-yl)benzenesulfonamide has a molecular weight of 340.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(3-cyano-4-fluoro-1H-indol-7-yl)benzenesulfonamide is sourced from PubChem (CID 139366201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).