N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide

C25H20F3N5O2S — CID 162705214

IUPACN-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCCc1ccc(-n2cc(-c3ccc4[nH]cc(NS(=O)(=O)c5ccc(C(F)(F)F)nc5)c4c3)cn2)cc1
InChIInChI=1S/C25H20F3N5O2S/c1-2-16-3-6-19(7-4-16)33-15-18(12-31-33)17-5-9-22-21(11-17)23(14-29-22)32-36(34,35)20-8-10-24(30-13-20)25(26,27)28/h3-15,29,32H,2H2,1H3
InChIKeyVVZKJXOZKYOHTF-UHFFFAOYSA-N
MW511.53 g/mol
LogP5.80
Rot. Bonds6

About N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide

N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 162705214) has the molecular formula C25H20F3N5O2S and a molecular weight of 511.53 g/mol. Its IUPAC name is N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID162705214
Molecular FormulaC25H20F3N5O2S
Molecular Weight511.53 g/mol
Exact Mass511.13
IUPAC NameN-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCCc1ccc(-n2cc(-c3ccc4[nH]cc(NS(=O)(=O)c5ccc(C(F)(F)F)nc5)c4c3)cn2)cc1
InChIInChI=1S/C25H20F3N5O2S/c1-2-16-3-6-19(7-4-16)33-15-18(12-31-33)17-5-9-22-21(11-17)23(14-29-22)32-36(34,35)20-8-10-24(30-13-20)25(26,27)28/h3-15,29,32H,2H2,1H3
InChIKeyVVZKJXOZKYOHTF-UHFFFAOYSA-N
XLogP5.80
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.53
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]cyclopropanesulfonamide
CID 162705212
1-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-3-(2,3,3-trifluoropropyl)urea
CID 175601091
[1-[[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]amino]-1-oxopropan-2-yl]carbamic acid
CID 170336742
N-methyl-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide
CID 164573407
tert-butyl N-(5-bromo-1H-indol-3-yl)carbamate;[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl] carbamate
CID 175479309
N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]-2H-triazole-4-carboxamide
CID 166951469
3,3,3-trifluoro-2-(hydroxymethyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]propanamide
CID 166951453
2-(1-aminocyclohexyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide
CID 162705288
N-(3-methoxycyclobutyl)-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide
CID 164573382
1-methyl-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]azetidine-2-carboxamide
CID 166951799
4-cyano-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxane-4-carboxamide
CID 166951745
4,4-difluoro-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]pyrrolidine-2-carboxamide
CID 170336737

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 162705214) is N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide is CCc1ccc(-n2cc(-c3ccc4[nH]cc(NS(=O)(=O)c5ccc(C(F)(F)F)nc5)c4c3)cn2)cc1.
What is the InChIKey of N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is VVZKJXOZKYOHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O2S/c1-2-16-3-6-19(7-4-16)33-15-18(12-31-33)17-5-9-22-21(11-17)23(14-29-22)32-36(34,35)20-8-10-24(30-13-20)25(26,27)28/h3-15,29,32H,2H2,1H3.
What are the key properties of N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 511.53 g/mol, XLogP of 5.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 162705214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).