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

C24H25N3O2S — CID 11486933

IUPACN-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]naphthalene-2-sulfonamide
SMILESCN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12
InChIInChI=1S/C24H25N3O2S/c1-27-12-4-7-21(27)13-19-16-25-24-11-9-20(15-23(19)24)26-30(28,29)22-10-8-17-5-2-3-6-18(17)14-22/h2-3,5-6,8-11,14-16,21,25-26H,4,7,12-13H2,1H3/t21-/m1/s1
InChIKeyRIODAMKKYXEOCC-OAQYLSRUSA-N
MW419.55 g/mol
LogP4.76
Rot. Bonds5

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

N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]naphthalene-2-sulfonamide (PubChem CID 11486933) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]naphthalene-2-sulfonamide
PubChem CID11486933
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC NameN-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]naphthalene-2-sulfonamide
SMILESCN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12
InChIInChI=1S/C24H25N3O2S/c1-27-12-4-7-21(27)13-19-16-25-24-11-9-20(15-23(19)24)26-30(28,29)22-10-8-17-5-2-3-6-18(17)14-22/h2-3,5-6,8-11,14-16,21,25-26H,4,7,12-13H2,1H3/t21-/m1/s1
InChIKeyRIODAMKKYXEOCC-OAQYLSRUSA-N
XLogP4.76
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Eletriptan
CID 77993
N-(2-(3-Indolyl)ethyl)-P-toluenesulfonamide
CID 2737722
5-Chloro-N-(3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)-2-naphthalenesulfonamide
CID 6918836
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
N-[2-(1H-Indol-3-yl)-ethyl]4-pentyl-benzenesulfonamide
CID 3775371
1-(p-Toluenesulfonyl)tryptamine
CID 14571158

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]naphthalene-2-sulfonamide (CID 11486933) is N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]naphthalene-2-sulfonamide is CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12.
What is the InChIKey of N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]naphthalene-2-sulfonamide?
The InChIKey is RIODAMKKYXEOCC-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-27-12-4-7-21(27)13-19-16-25-24-11-9-20(15-23(19)24)26-30(28,29)22-10-8-17-5-2-3-6-18(17)14-22/h2-3,5-6,8-11,14-16,21,25-26H,4,7,12-13H2,1H3/t21-/m1/s1.
What are the key properties of N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]naphthalene-2-sulfonamide?
N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]naphthalene-2-sulfonamide has a molecular weight of 419.55 g/mol, XLogP of 4.76, 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]naphthalene-2-sulfonamide is sourced from PubChem (CID 11486933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).