1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-2-ol

C20H22N2O3S — CID 54049957

IUPAC1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-2-ol
SMILESCN1CCC[C@@H]1Cc1c(O)n(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C20H22N2O3S/c1-21-13-7-8-15(21)14-18-17-11-5-6-12-19(17)22(20(18)23)26(24,25)16-9-3-2-4-10-16/h2-6,9-12,15,23H,7-8,13-14H2,1H3/t15-/m1/s1
InChIKeyLSEHPWVMCCPAKN-OAHLLOKOSA-N
MW370.47 g/mol
LogP3.22
Rot. Bonds4

About 1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-2-ol

1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-2-ol (PubChem CID 54049957) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-2-ol.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-2-ol
PubChem CID54049957
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-2-ol
SMILESCN1CCC[C@@H]1Cc1c(O)n(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C20H22N2O3S/c1-21-13-7-8-15(21)14-18-17-11-5-6-12-19(17)22(20(18)23)26(24,25)16-9-3-2-4-10-16/h2-6,9-12,15,23H,7-8,13-14H2,1H3/t15-/m1/s1
InChIKeyLSEHPWVMCCPAKN-OAHLLOKOSA-N
XLogP3.22
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine;formic acid
CID 157153001
3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469186
1-(benzenesulfonyl)-2-chloro-3-ethylindole
CID 14416105
(2S)-1-(benzenesulfonyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 141334069
(2S)-2-(benzylsulfonylmethyl)-1-methylpyrrolidine
CID 174401893
1-(benzenesulfonyl)-2-(iodomethyl)piperidine
CID 71381040
1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 114137775
6-(benzenesulfonyl)-2-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indole
CID 58147103
1-(benzenesulfonyl)-3-(methoxymethyl)indole-2-sulfonyl chloride
CID 88924851
[(2R)-1-[[1-(benzenesulfonyl)indol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 24775577
1-[2-(1-methylpiperidin-2-yl)ethyl]indazole-3-carboxylic acid
CID 107912892
1-[5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]ethanone
CID 59095980

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-2-ol?
The IUPAC name of 1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-2-ol (CID 54049957) is 1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-2-ol.
What is the SMILES notation for 1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-2-ol?
The canonical SMILES for 1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-2-ol is CN1CCC[C@@H]1Cc1c(O)n(S(=O)(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of 1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-2-ol?
The InChIKey is LSEHPWVMCCPAKN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-21-13-7-8-15(21)14-18-17-11-5-6-12-19(17)22(20(18)23)26(24,25)16-9-3-2-4-10-16/h2-6,9-12,15,23H,7-8,13-14H2,1H3/t15-/m1/s1.
What are the key properties of 1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-2-ol?
1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-2-ol has a molecular weight of 370.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-2-ol is sourced from PubChem (CID 54049957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).