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

C21H25N3O3S — CID 11211722

IUPAC4-methoxy-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3[nH]cc(C[C@H]4CCCN4C)c3c2)cc1
InChIInChI=1S/C21H25N3O3S/c1-24-11-3-4-17(24)12-15-14-22-21-10-5-16(13-20(15)21)23-28(25,26)19-8-6-18(27-2)7-9-19/h5-10,13-14,17,22-23H,3-4,11-12H2,1-2H3/t17-/m1/s1
InChIKeyYWZXVSGZOKGKHU-QGZVFWFLSA-N
MW399.52 g/mol
LogP3.61
Rot. Bonds6

About 4-methoxy-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide

4-methoxy-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide (PubChem CID 11211722) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 4-methoxy-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
PubChem CID11211722
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name4-methoxy-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3[nH]cc(C[C@H]4CCCN4C)c3c2)cc1
InChIInChI=1S/C21H25N3O3S/c1-24-11-3-4-17(24)12-15-14-22-21-10-5-16(13-20(15)21)23-28(25,26)19-8-6-18(27-2)7-9-19/h5-10,13-14,17,22-23H,3-4,11-12H2,1-2H3/t17-/m1/s1
InChIKeyYWZXVSGZOKGKHU-QGZVFWFLSA-N
XLogP3.61
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide (CID 11211722) is 4-methoxy-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3[nH]cc(C[C@H]4CCCN4C)c3c2)cc1.
What is the InChIKey of 4-methoxy-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide?
The InChIKey is YWZXVSGZOKGKHU-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-24-11-3-4-17(24)12-15-14-22-21-10-5-16(13-20(15)21)23-28(25,26)19-8-6-18(27-2)7-9-19/h5-10,13-14,17,22-23H,3-4,11-12H2,1-2H3/t17-/m1/s1.
What are the key properties of 4-methoxy-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide?
4-methoxy-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide has a molecular weight of 399.52 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide is sourced from PubChem (CID 11211722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).