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

C16H16FN5O3S — CID 155193256

IUPACN-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
SMILESCC(C)(O)Cn1cc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)cn1
InChIInChI=1S/C16H16FN5O3S/c1-16(2,23)9-22-8-11(7-20-22)26(24,25)21-13-4-3-12(17)14-10(5-18)6-19-15(13)14/h3-4,6-8,19,21,23H,9H2,1-2H3
InChIKeyUILSVIKTWZSOBQ-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.95
Rot. Bonds5

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

N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide (PubChem CID 155193256) has the molecular formula C16H16FN5O3S and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
PubChem CID155193256
Molecular FormulaC16H16FN5O3S
Molecular Weight377.40 g/mol
Exact Mass377.10
IUPAC NameN-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
SMILESCC(C)(O)Cn1cc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)cn1
InChIInChI=1S/C16H16FN5O3S/c1-16(2,23)9-22-8-11(7-20-22)26(24,25)21-13-4-3-12(17)14-10(5-18)6-19-15(13)14/h3-4,6-8,19,21,23H,9H2,1-2H3
InChIKeyUILSVIKTWZSOBQ-UHFFFAOYSA-N
XLogP1.95
TPSA123.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methyl-6-propylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170968670
N-(6-ethyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide
CID 170969017
N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170969209
N-(6-ethyl-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170969324
1-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 56793257
1-ethyl-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 56876604
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

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide (CID 155193256) is N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide is CC(C)(O)Cn1cc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)cn1.
What is the InChIKey of N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide?
The InChIKey is UILSVIKTWZSOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O3S/c1-16(2,23)9-22-8-11(7-20-22)26(24,25)21-13-4-3-12(17)14-10(5-18)6-19-15(13)14/h3-4,6-8,19,21,23H,9H2,1-2H3.
What are the key properties of N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide?
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide has a molecular weight of 377.40 g/mol, XLogP of 1.95, 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)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 155193256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).