4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane

C37H32F6N8O4S2 — CID 159630050

IUPAC4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane
SMILESC.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3[nH]ccc3c2)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)CCN3)cc1
InChIInChI=1S/C18H15F3N4O2S.C18H13F3N4O2S.CH4/c2*19-18(20,21)17-10-16(12-1-6-15-11(9-12)7-8-23-15)25(24-17)13-2-4-14(5-3-13)28(22,26)27;/h1-6,9-10,23H,7-8H2,(H2,22,26,27);1-10,23H,(H2,22,26,27);1H4
InChIKeyMOZQRFOIQZZCLV-UHFFFAOYSA-N
MW830.84 g/mol
LogP7.50
Rot. Bonds6

About 4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane

4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane (PubChem CID 159630050) has the molecular formula C37H32F6N8O4S2 and a molecular weight of 830.84 g/mol. Its IUPAC name is 4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane.

Molecular Properties

Compound Name4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane
PubChem CID159630050
Molecular FormulaC37H32F6N8O4S2
Molecular Weight830.84 g/mol
Exact Mass830.19
IUPAC Name4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane
SMILESC.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3[nH]ccc3c2)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)CCN3)cc1
InChIInChI=1S/C18H15F3N4O2S.C18H13F3N4O2S.CH4/c2*19-18(20,21)17-10-16(12-1-6-15-11(9-12)7-8-23-15)25(24-17)13-2-4-14(5-3-13)28(22,26)27;/h1-6,9-10,23H,7-8H2,(H2,22,26,27);1-10,23H,(H2,22,26,27);1H4
InChIKeyMOZQRFOIQZZCLV-UHFFFAOYSA-N
XLogP7.50
TPSA183.78 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.84
LogP ≤ 57.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane with MolForge

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Related Compounds

4-[3-(6-amino-1H-indol-3-yl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 44451467
4-[5-(1H-indol-3-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 135434049
5-[5-(4-tert-butylphenyl)sulfonyl-2-(2,6-dimethylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]-1H-indole
CID 145744889
N-[(S)-1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 139118329
2-[5-(1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 17895759
2-[5-(7-fluoro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 17895772
2-[5-(7-methyl-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 17895786
4-[4-(1-Ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 19085978
4-[5-(1H-indol-5-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide
CID 22315400
4-[5-(7-fluoro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315445
4-[5-(1-Ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315449
4-[5-(7-methyl-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315503

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane?
The IUPAC name of 4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane (CID 159630050) is 4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane.
What is the SMILES notation for 4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane?
The canonical SMILES for 4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane is C.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3[nH]ccc3c2)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)CCN3)cc1.
What is the InChIKey of 4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane?
The InChIKey is MOZQRFOIQZZCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2S.C18H13F3N4O2S.CH4/c2*19-18(20,21)17-10-16(12-1-6-15-11(9-12)7-8-23-15)25(24-17)13-2-4-14(5-3-13)28(22,26)27;/h1-6,9-10,23H,7-8H2,(H2,22,26,27);1-10,23H,(H2,22,26,27);1H4.
What are the key properties of 4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane?
4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane has a molecular weight of 830.84 g/mol, XLogP of 7.50, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane is sourced from PubChem (CID 159630050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).