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

C21H24ClN3O3S — CID 11476019

IUPAC5-chloro-2-methoxy-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2[nH]cc(C[C@@H]3CCCN3C)c2c1
InChIInChI=1S/C21H24ClN3O3S/c1-25-9-3-4-17(25)10-14-13-23-19-7-6-16(12-18(14)19)24-29(26,27)21-11-15(22)5-8-20(21)28-2/h5-8,11-13,17,23-24H,3-4,9-10H2,1-2H3/t17-/m0/s1
InChIKeyZGTSMVDQMGDNRS-KRWDZBQOSA-N
MW433.96 g/mol
LogP4.27
Rot. Bonds6

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

5-chloro-2-methoxy-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide (PubChem CID 11476019) has the molecular formula C21H24ClN3O3S and a molecular weight of 433.96 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
PubChem CID11476019
Molecular FormulaC21H24ClN3O3S
Molecular Weight433.96 g/mol
Exact Mass433.12
IUPAC Name5-chloro-2-methoxy-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2[nH]cc(C[C@@H]3CCCN3C)c2c1
InChIInChI=1S/C21H24ClN3O3S/c1-25-9-3-4-17(25)10-14-13-23-19-7-6-16(12-18(14)19)24-29(26,27)21-11-15(22)5-8-20(21)28-2/h5-8,11-13,17,23-24H,3-4,9-10H2,1-2H3/t17-/m0/s1
InChIKeyZGTSMVDQMGDNRS-KRWDZBQOSA-N
XLogP4.27
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.96
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide (CID 11476019) is 5-chloro-2-methoxy-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2[nH]cc(C[C@@H]3CCCN3C)c2c1.
What is the InChIKey of 5-chloro-2-methoxy-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide?
The InChIKey is ZGTSMVDQMGDNRS-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24ClN3O3S/c1-25-9-3-4-17(25)10-14-13-23-19-7-6-16(12-18(14)19)24-29(26,27)21-11-15(22)5-8-20(21)28-2/h5-8,11-13,17,23-24H,3-4,9-10H2,1-2H3/t17-/m0/s1.
What are the key properties of 5-chloro-2-methoxy-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide?
5-chloro-2-methoxy-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide has a molecular weight of 433.96 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide is sourced from PubChem (CID 11476019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).