N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-3-(trifluoromethyl)benzenesulfonamide

C21H22F3N3O2S — CID 11385064

IUPACN-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc12
InChIInChI=1S/C21H22F3N3O2S/c1-27-9-3-5-17(27)10-14-13-25-20-8-7-16(12-19(14)20)26-30(28,29)18-6-2-4-15(11-18)21(22,23)24/h2,4,6-8,11-13,17,25-26H,3,5,9-10H2,1H3/t17-/m1/s1
InChIKeyZVQLQRWNPNZTMX-QGZVFWFLSA-N
MW437.49 g/mol
LogP4.62
Rot. Bonds5

About N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-3-(trifluoromethyl)benzenesulfonamide

N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 11385064) has the molecular formula C21H22F3N3O2S and a molecular weight of 437.49 g/mol. Its IUPAC name is N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID11385064
Molecular FormulaC21H22F3N3O2S
Molecular Weight437.49 g/mol
Exact Mass437.14
IUPAC NameN-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc12
InChIInChI=1S/C21H22F3N3O2S/c1-27-9-3-5-17(27)10-14-13-25-20-8-7-16(12-19(14)20)26-30(28,29)18-6-2-4-15(11-18)21(22,23)24/h2,4,6-8,11-13,17,25-26H,3,5,9-10H2,1H3/t17-/m1/s1
InChIKeyZVQLQRWNPNZTMX-QGZVFWFLSA-N
XLogP4.62
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Eletriptan
CID 77993
Almotriptan
CID 123606
Eletriptan Hydrobromide
CID 656631
N-Methyl-3-(((2R)-1-methyl-2-pyrrolidinyl)methyl)-1H-indole-5-methanesulfonamide
CID 132552
N-(2-(3-Indolyl)ethyl)-P-toluenesulfonamide
CID 2737722
1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 156850
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
Dansyltryptamine
CID 582771
pyrrolidinylindole, (R)-5b
CID 11351089
Substituted phenylsulfonyltryptamine, 11j
CID 23655465
4-[3-(2-Dimethylamino-ethyl)-indole-1-sulfonyl]-phenylamine
CID 23757270

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 11385064) is N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-3-(trifluoromethyl)benzenesulfonamide is CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc12.
What is the InChIKey of N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZVQLQRWNPNZTMX-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22F3N3O2S/c1-27-9-3-5-17(27)10-14-13-25-20-8-7-16(12-19(14)20)26-30(28,29)18-6-2-4-15(11-18)21(22,23)24/h2,4,6-8,11-13,17,25-26H,3,5,9-10H2,1H3/t17-/m1/s1.
What are the key properties of N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-3-(trifluoromethyl)benzenesulfonamide?
N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 437.49 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 11385064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).