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

C15H13F2N5O2S — CID 155193430

IUPACN-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoropropan-2-yl)pyrazole-4-sulfonamide
SMILESCC(CF)n1cc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)cn1
InChIInChI=1S/C15H13F2N5O2S/c1-9(4-16)22-8-11(7-20-22)25(23,24)21-13-3-2-12(17)14-10(5-18)6-19-15(13)14/h2-3,6-9,19,21H,4H2,1H3
InChIKeyGHZONOPTDWDGJR-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.71
Rot. Bonds5

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

N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoropropan-2-yl)pyrazole-4-sulfonamide (PubChem CID 155193430) has the molecular formula C15H13F2N5O2S and a molecular weight of 365.37 g/mol. Its IUPAC name is N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoropropan-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoropropan-2-yl)pyrazole-4-sulfonamide
PubChem CID155193430
Molecular FormulaC15H13F2N5O2S
Molecular Weight365.37 g/mol
Exact Mass365.08
IUPAC NameN-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoropropan-2-yl)pyrazole-4-sulfonamide
SMILESCC(CF)n1cc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)cn1
InChIInChI=1S/C15H13F2N5O2S/c1-9(4-16)22-8-11(7-20-22)25(23,24)21-13-3-2-12(17)14-10(5-18)6-19-15(13)14/h2-3,6-9,19,21H,4H2,1H3
InChIKeyGHZONOPTDWDGJR-UHFFFAOYSA-N
XLogP2.71
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoropropan-2-yl)pyrazole-4-sulfonamide with MolForge

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Related Compounds

N-(3-cyano-1H-indol-7-yl)-5-methylpyridine-3-sulfonamide
CID 11312975
1-cyclopentyl-N-[(2S)-1-[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
CID 57690900
N-(3-cyano-1H-indol-7-yl)pyridine-3-sulfonamide
CID 44306638
4-[3-(7-amino-1H-indol-3-yl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 44451439
Desmethyl-E7820
CID 10591911
4-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide
CID 10639558
4-[5-(1H-indol-3-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 135434049
3-cyano-N-(3-cyano-4-fluoro-1H-indol-7-yl)benzenesulfonamide
CID 139366201
6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide
CID 176710721
6-chloro-N-[5-cyano-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-1H-indole-3-sulfonamide
CID 176710968
N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide
CID 155116682
2-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide
CID 10615801

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoropropan-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoropropan-2-yl)pyrazole-4-sulfonamide (CID 155193430) is N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoropropan-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoropropan-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoropropan-2-yl)pyrazole-4-sulfonamide is CC(CF)n1cc(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-(1-fluoropropan-2-yl)pyrazole-4-sulfonamide?
The InChIKey is GHZONOPTDWDGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O2S/c1-9(4-16)22-8-11(7-20-22)25(23,24)21-13-3-2-12(17)14-10(5-18)6-19-15(13)14/h2-3,6-9,19,21H,4H2,1H3.
What are the key properties of N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoropropan-2-yl)pyrazole-4-sulfonamide?
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoropropan-2-yl)pyrazole-4-sulfonamide has a molecular weight of 365.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoropropan-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 155193430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).