N-(3-cyano-4-fluoro-1H-indol-7-yl)-3-fluoro-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide

C16H15F2N5O3S — CID 155193259

IUPACN-(3-cyano-4-fluoro-1H-indol-7-yl)-3-fluoro-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
SMILESCC(C)(O)Cn1cc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)c(F)n1
InChIInChI=1S/C16H15F2N5O3S/c1-16(2,24)8-23-7-12(15(18)21-23)27(25,26)22-11-4-3-10(17)13-9(5-19)6-20-14(11)13/h3-4,6-7,20,22,24H,8H2,1-2H3
InChIKeyXDKUQUQQVWFBAB-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.09
Rot. Bonds5

About N-(3-cyano-4-fluoro-1H-indol-7-yl)-3-fluoro-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide

N-(3-cyano-4-fluoro-1H-indol-7-yl)-3-fluoro-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide (PubChem CID 155193259) has the molecular formula C16H15F2N5O3S and a molecular weight of 395.39 g/mol. Its IUPAC name is N-(3-cyano-4-fluoro-1H-indol-7-yl)-3-fluoro-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluoro-1H-indol-7-yl)-3-fluoro-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
PubChem CID155193259
Molecular FormulaC16H15F2N5O3S
Molecular Weight395.39 g/mol
Exact Mass395.09
IUPAC NameN-(3-cyano-4-fluoro-1H-indol-7-yl)-3-fluoro-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
SMILESCC(C)(O)Cn1cc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)c(F)n1
InChIInChI=1S/C16H15F2N5O3S/c1-16(2,24)8-23-7-12(15(18)21-23)27(25,26)22-11-4-3-10(17)13-9(5-19)6-20-14(11)13/h3-4,6-7,20,22,24H,8H2,1-2H3
InChIKeyXDKUQUQQVWFBAB-UHFFFAOYSA-N
XLogP2.09
TPSA123.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170969141
N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170969209
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
6-[3-cyano-5-fluoro-6-methyl-1-(1-methylpyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 66733028
6-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 66733390
2-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 66734601
6-[3-cyano-5-fluoro-6-methyl-1-(1-methylpyrazol-4-yl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
CID 77181718
6-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
CID 77181781
6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole
CID 124143461
4-(6-fluoro-1H-indol-3-yl)-N-(2-hydroxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 126574723
1-butyl-N-(5,6-difluoro-1H-indol-3-yl)-3-methylpyrazole-4-sulfinamide
CID 154653179

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluoro-1H-indol-7-yl)-3-fluoro-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(3-cyano-4-fluoro-1H-indol-7-yl)-3-fluoro-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide (CID 155193259) is N-(3-cyano-4-fluoro-1H-indol-7-yl)-3-fluoro-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-fluoro-1H-indol-7-yl)-3-fluoro-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-cyano-4-fluoro-1H-indol-7-yl)-3-fluoro-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide is CC(C)(O)Cn1cc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)c(F)n1.
What is the InChIKey of N-(3-cyano-4-fluoro-1H-indol-7-yl)-3-fluoro-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide?
The InChIKey is XDKUQUQQVWFBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O3S/c1-16(2,24)8-23-7-12(15(18)21-23)27(25,26)22-11-4-3-10(17)13-9(5-19)6-20-14(11)13/h3-4,6-7,20,22,24H,8H2,1-2H3.
What are the key properties of N-(3-cyano-4-fluoro-1H-indol-7-yl)-3-fluoro-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide?
N-(3-cyano-4-fluoro-1H-indol-7-yl)-3-fluoro-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide has a molecular weight of 395.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluoro-1H-indol-7-yl)-3-fluoro-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 155193259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).