3-amino-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-ethylpyrazole-4-sulfonamide

C14H13FN6O2S — CID 155193284

IUPAC3-amino-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)c(N)n1
InChIInChI=1S/C14H13FN6O2S/c1-2-21-7-11(14(17)19-21)24(22,23)20-10-4-3-9(15)12-8(5-16)6-18-13(10)12/h3-4,6-7,18,20H,2H2,1H3,(H2,17,19)
InChIKeyYRORUBPGIQKPGF-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.78
Rot. Bonds4

About 3-amino-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-ethylpyrazole-4-sulfonamide

3-amino-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-ethylpyrazole-4-sulfonamide (PubChem CID 155193284) has the molecular formula C14H13FN6O2S and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-amino-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-ethylpyrazole-4-sulfonamide
PubChem CID155193284
Molecular FormulaC14H13FN6O2S
Molecular Weight348.36 g/mol
Exact Mass348.08
IUPAC Name3-amino-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)c(N)n1
InChIInChI=1S/C14H13FN6O2S/c1-2-21-7-11(14(17)19-21)24(22,23)20-10-4-3-9(15)12-8(5-16)6-18-13(10)12/h3-4,6-7,18,20H,2H2,1H3,(H2,17,19)
InChIKeyYRORUBPGIQKPGF-UHFFFAOYSA-N
XLogP1.78
TPSA129.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170969209
N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 171467897
1-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 56793257
4-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-indole-3-sulfonamide
CID 99844417
N-(1-tert-butyl-4-cyanopyrazol-3-yl)-1H-indole-3-sulfonamide
CID 132318438
N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]methanesulfonamide
CID 118060377
6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole
CID 124143461
4-(6-fluoro-1H-indol-3-yl)-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 126574687
1-butyl-N-(5,6-difluoro-1H-indol-3-yl)-3-methylpyrazole-4-sulfinamide
CID 154653179
N-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfinamide
CID 154653202
1-benzyl-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide
CID 154653206
1-butyl-N-(5,6-difluoro-1H-indol-3-yl)-3-methylpyrazole-4-sulfonamide
CID 155009378

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-ethylpyrazole-4-sulfonamide (CID 155193284) is 3-amino-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)c(N)n1.
What is the InChIKey of 3-amino-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-ethylpyrazole-4-sulfonamide?
The InChIKey is YRORUBPGIQKPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN6O2S/c1-2-21-7-11(14(17)19-21)24(22,23)20-10-4-3-9(15)12-8(5-16)6-18-13(10)12/h3-4,6-7,18,20H,2H2,1H3,(H2,17,19).
What are the key properties of 3-amino-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-ethylpyrazole-4-sulfonamide?
3-amino-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-ethylpyrazole-4-sulfonamide has a molecular weight of 348.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 155193284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).