N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C20H19F3N4O2S — CID 58833379

IUPACN-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)CCN3C)cc1
InChIInChI=1S/C20H19F3N4O2S/c1-24-30(28,29)16-6-4-15(5-7-16)27-18(12-19(25-27)20(21,22)23)13-3-8-17-14(11-13)9-10-26(17)2/h3-8,11-12,24H,9-10H2,1-2H3
InChIKeyMYCACZDNRNCASV-UHFFFAOYSA-N
MW436.46 g/mol
LogP3.46
Rot. Bonds4

About N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 58833379) has the molecular formula C20H19F3N4O2S and a molecular weight of 436.46 g/mol. Its IUPAC name is N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID58833379
Molecular FormulaC20H19F3N4O2S
Molecular Weight436.46 g/mol
Exact Mass436.12
IUPAC NameN-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)CCN3C)cc1
InChIInChI=1S/C20H19F3N4O2S/c1-24-30(28,29)16-6-4-15(5-7-16)27-18(12-19(25-27)20(21,22)23)13-3-8-17-14(11-13)9-10-26(17)2/h3-8,11-12,24H,9-10H2,1-2H3
InChIKeyMYCACZDNRNCASV-UHFFFAOYSA-N
XLogP3.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 58833379) is N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is CNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)CCN3C)cc1.
What is the InChIKey of N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is MYCACZDNRNCASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2S/c1-24-30(28,29)16-6-4-15(5-7-16)27-18(12-19(25-27)20(21,22)23)13-3-8-17-14(11-13)9-10-26(17)2/h3-8,11-12,24H,9-10H2,1-2H3.
What are the key properties of N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 436.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 58833379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).