N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]cyclopropanesulfonamide

C22H22N4O2S — CID 162705212

IUPACN-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]cyclopropanesulfonamide
SMILESCCc1ccc(-n2cc(-c3ccc4[nH]cc(NS(=O)(=O)C5CC5)c4c3)cn2)cc1
InChIInChI=1S/C22H22N4O2S/c1-2-15-3-6-18(7-4-15)26-14-17(12-24-26)16-5-10-21-20(11-16)22(13-23-21)25-29(27,28)19-8-9-19/h3-7,10-14,19,23,25H,2,8-9H2,1H3
InChIKeyJKVXLMHHEUTDAC-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.49
Rot. Bonds6

About N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]cyclopropanesulfonamide

N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]cyclopropanesulfonamide (PubChem CID 162705212) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]cyclopropanesulfonamide
PubChem CID162705212
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC NameN-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]cyclopropanesulfonamide
SMILESCCc1ccc(-n2cc(-c3ccc4[nH]cc(NS(=O)(=O)C5CC5)c4c3)cn2)cc1
InChIInChI=1S/C22H22N4O2S/c1-2-15-3-6-18(7-4-15)26-14-17(12-24-26)16-5-10-21-20(11-16)22(13-23-21)25-29(27,28)19-8-9-19/h3-7,10-14,19,23,25H,2,8-9H2,1H3
InChIKeyJKVXLMHHEUTDAC-UHFFFAOYSA-N
XLogP4.49
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]cyclopropanesulfonamide?
The IUPAC name of N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]cyclopropanesulfonamide (CID 162705212) is N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]cyclopropanesulfonamide is CCc1ccc(-n2cc(-c3ccc4[nH]cc(NS(=O)(=O)C5CC5)c4c3)cn2)cc1.
What is the InChIKey of N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]cyclopropanesulfonamide?
The InChIKey is JKVXLMHHEUTDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-2-15-3-6-18(7-4-15)26-14-17(12-24-26)16-5-10-21-20(11-16)22(13-23-21)25-29(27,28)19-8-9-19/h3-7,10-14,19,23,25H,2,8-9H2,1H3.
What are the key properties of N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]cyclopropanesulfonamide?
N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]cyclopropanesulfonamide has a molecular weight of 406.51 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]cyclopropanesulfonamide is sourced from PubChem (CID 162705212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).