N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]methanesulfonamide

C14H15FN4O2S — CID 118060377

IUPACN-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1cc(-c2c[nH]c3cc(F)ccc23)cn1
InChIInChI=1S/C14H15FN4O2S/c1-22(20,21)18-4-5-19-9-10(7-17-19)13-8-16-14-6-11(15)2-3-12(13)14/h2-3,6-9,16,18H,4-5H2,1H3
InChIKeyHZWAJOJXRRFQEQ-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.72
Rot. Bonds5

About N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]methanesulfonamide

N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]methanesulfonamide (PubChem CID 118060377) has the molecular formula C14H15FN4O2S and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]methanesulfonamide
PubChem CID118060377
Molecular FormulaC14H15FN4O2S
Molecular Weight322.37 g/mol
Exact Mass322.09
IUPAC NameN-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1cc(-c2c[nH]c3cc(F)ccc23)cn1
InChIInChI=1S/C14H15FN4O2S/c1-22(20,21)18-4-5-19-9-10(7-17-19)13-8-16-14-6-11(15)2-3-12(13)14/h2-3,6-9,16,18H,4-5H2,1H3
InChIKeyHZWAJOJXRRFQEQ-UHFFFAOYSA-N
XLogP1.72
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
4-{[(E)-1H-indol-3-ylmethylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
CID 135630551
4-[3-(1H-indol-3-yl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 9866143
N-methyl-2-[5-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethanamine
CID 10471383
2-[5-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethanamine
CID 11722814
1-cyclopentyl-N-[(2S)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
CID 16665449
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-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]methanesulfonamide
CID 71661346
N-ethyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]methanesulfonamide
CID 71661347
7-Fluoro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
CID 135526960
N'-[(E)-1H-indol-3-ylmethylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 135650752
US10660877, Example 692
CID 139447345

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]methanesulfonamide (CID 118060377) is N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCn1cc(-c2c[nH]c3cc(F)ccc23)cn1.
What is the InChIKey of N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]methanesulfonamide?
The InChIKey is HZWAJOJXRRFQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2S/c1-22(20,21)18-4-5-19-9-10(7-17-19)13-8-16-14-6-11(15)2-3-12(13)14/h2-3,6-9,16,18H,4-5H2,1H3.
What are the key properties of N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]methanesulfonamide?
N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]methanesulfonamide has a molecular weight of 322.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 118060377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).