1-(benzenesulfonyl)-6-fluoro-4-(methylaminomethyl)indol-5-ol

C16H15FN2O3S — CID 59513586

IUPAC1-(benzenesulfonyl)-6-fluoro-4-(methylaminomethyl)indol-5-ol
SMILESCNCc1c(O)c(F)cc2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H15FN2O3S/c1-18-10-13-12-7-8-19(15(12)9-14(17)16(13)20)23(21,22)11-5-3-2-4-6-11/h2-9,18,20H,10H2,1H3
InChIKeyHLSDYGCQCRMNEL-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.44
Rot. Bonds4

About 1-(benzenesulfonyl)-6-fluoro-4-(methylaminomethyl)indol-5-ol

1-(benzenesulfonyl)-6-fluoro-4-(methylaminomethyl)indol-5-ol (PubChem CID 59513586) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-6-fluoro-4-(methylaminomethyl)indol-5-ol.

Molecular Properties

Compound Name1-(benzenesulfonyl)-6-fluoro-4-(methylaminomethyl)indol-5-ol
PubChem CID59513586
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name1-(benzenesulfonyl)-6-fluoro-4-(methylaminomethyl)indol-5-ol
SMILESCNCc1c(O)c(F)cc2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H15FN2O3S/c1-18-10-13-12-7-8-19(15(12)9-14(17)16(13)20)23(21,22)11-5-3-2-4-6-11/h2-9,18,20H,10H2,1H3
InChIKeyHLSDYGCQCRMNEL-UHFFFAOYSA-N
XLogP2.44
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[1-(benzenesulfonyl)-5-methoxyindol-4-yl]-N-methylmethanamine
CID 59513523
1-[[1-(benzenesulfonyl)-6-fluoro-5-methoxyindol-4-yl]methyl-methylamino]ethyl 2,2,2-trifluoroacetate
CID 68716764
1-(benzenesulfonyl)-5-fluoro-4-iodoindole
CID 118537676
1-(benzenesulfonyl)-6-fluoroindole-4-carbaldehyde
CID 86618242
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-methylethanamine
CID 11461668
1-[1-(benzenesulfonyl)-5-ethoxyindol-4-yl]-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid
CID 68717072
1-(benzenesulfonyl)-6-fluoro-4-[(1-methylazepan-4-yl)methyl]indole
CID 143603060
1-(benzenesulfonyl)-4-chloroindole
CID 11716255
1-(benzenesulfonyl)-4-(chloromethyl)indole
CID 118141510
4-[6-fluoro-4-(hydroxymethyl)-1-(4-methylphenyl)sulfonylindol-5-yl]sulfanylpyridine-2-carbonitrile
CID 176852486
2-[[1-(benzenesulfonyl)-6-fluoro-5-(4-fluoro-3-isocyanophenoxy)indol-4-yl]methyl]-4-bromo-1,3-thiazole
CID 176852588
3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonylphenol
CID 90168780

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-6-fluoro-4-(methylaminomethyl)indol-5-ol?
The IUPAC name of 1-(benzenesulfonyl)-6-fluoro-4-(methylaminomethyl)indol-5-ol (CID 59513586) is 1-(benzenesulfonyl)-6-fluoro-4-(methylaminomethyl)indol-5-ol.
What is the SMILES notation for 1-(benzenesulfonyl)-6-fluoro-4-(methylaminomethyl)indol-5-ol?
The canonical SMILES for 1-(benzenesulfonyl)-6-fluoro-4-(methylaminomethyl)indol-5-ol is CNCc1c(O)c(F)cc2c1ccn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-6-fluoro-4-(methylaminomethyl)indol-5-ol?
The InChIKey is HLSDYGCQCRMNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-18-10-13-12-7-8-19(15(12)9-14(17)16(13)20)23(21,22)11-5-3-2-4-6-11/h2-9,18,20H,10H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-6-fluoro-4-(methylaminomethyl)indol-5-ol?
1-(benzenesulfonyl)-6-fluoro-4-(methylaminomethyl)indol-5-ol has a molecular weight of 334.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-6-fluoro-4-(methylaminomethyl)indol-5-ol is sourced from PubChem (CID 59513586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).