N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-propan-2-ylbenzenesulfonamide

C23H29N3O2S — CID 11177383

IUPACN-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]cc(C[C@@H]4CCCN4C)c3c2)cc1
InChIInChI=1S/C23H29N3O2S/c1-16(2)17-6-9-21(10-7-17)29(27,28)25-19-8-11-23-22(14-19)18(15-24-23)13-20-5-4-12-26(20)3/h6-11,14-16,20,24-25H,4-5,12-13H2,1-3H3/t20-/m0/s1
InChIKeyDFFMMBXYEZXXOU-FQEVSTJZSA-N
MW411.57 g/mol
LogP4.73
Rot. Bonds6

About N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-propan-2-ylbenzenesulfonamide

N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 11177383) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-propan-2-ylbenzenesulfonamide
PubChem CID11177383
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC NameN-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]cc(C[C@@H]4CCCN4C)c3c2)cc1
InChIInChI=1S/C23H29N3O2S/c1-16(2)17-6-9-21(10-7-17)29(27,28)25-19-8-11-23-22(14-19)18(15-24-23)13-20-5-4-12-26(20)3/h6-11,14-16,20,24-25H,4-5,12-13H2,1-3H3/t20-/m0/s1
InChIKeyDFFMMBXYEZXXOU-FQEVSTJZSA-N
XLogP4.73
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-propan-2-ylbenzenesulfonamide (CID 11177383) is N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]cc(C[C@@H]4CCCN4C)c3c2)cc1.
What is the InChIKey of N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is DFFMMBXYEZXXOU-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-16(2)17-6-9-21(10-7-17)29(27,28)25-19-8-11-23-22(14-19)18(15-24-23)13-20-5-4-12-26(20)3/h6-11,14-16,20,24-25H,4-5,12-13H2,1-3H3/t20-/m0/s1.
What are the key properties of N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-propan-2-ylbenzenesulfonamide?
N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 411.57 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 11177383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).