2-amino-5-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]phenol

C20H15FN2O3S — CID 118382516

IUPAC2-amino-5-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]phenol
SMILESNc1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3ccc(F)cc23)cc1O
InChIInChI=1S/C20H15FN2O3S/c21-14-7-9-19-16(11-14)17(13-6-8-18(22)20(24)10-13)12-23(19)27(25,26)15-4-2-1-3-5-15/h1-12,24H,22H2
InChIKeyWBEBFMLETCEVPL-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.97
Rot. Bonds3

About 2-amino-5-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]phenol

2-amino-5-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]phenol (PubChem CID 118382516) has the molecular formula C20H15FN2O3S and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-amino-5-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]phenol.

Molecular Properties

Compound Name2-amino-5-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]phenol
PubChem CID118382516
Molecular FormulaC20H15FN2O3S
Molecular Weight382.42 g/mol
Exact Mass382.08
IUPAC Name2-amino-5-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]phenol
SMILESNc1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3ccc(F)cc23)cc1O
InChIInChI=1S/C20H15FN2O3S/c21-14-7-9-19-16(11-14)17(13-6-8-18(22)20(24)10-13)12-23(19)27(25,26)15-4-2-1-3-5-15/h1-12,24H,22H2
InChIKeyWBEBFMLETCEVPL-UHFFFAOYSA-N
XLogP3.97
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-[2-amino-5-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]phenyl]-3-chloropropan-2-one
CID 160618600
[2-[2-amino-5-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]anilino]-2-oxoethyl]carbamic acid
CID 118386337
1-(benzenesulfonyl)-5-fluoroindole-3-carbaldehyde
CID 151908022
3-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]propanoic acid
CID 18449979
N'-[5-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-2-pyridinyl]ethane-1,2-diamine
CID 118293137
1-(benzenesulfonyl)-6-(4-fluorophenyl)-3-pyridin-3-ylindole
CID 67843534
N-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide
CID 155561865
1-(benzenesulfonyl)-6-fluoro-3-(6-piperidin-1-yl-3-pyridinyl)indole
CID 162101082
6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-2,3-dihydropyrrolo[1,2-a]benzimidazol-1-one
CID 118382311
2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]acetamide
CID 118060424
1-(benzenesulfonyl)indol-3-amine
CID 142808384
5-bromo-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 132573373

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]phenol?
The IUPAC name of 2-amino-5-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]phenol (CID 118382516) is 2-amino-5-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]phenol.
What is the SMILES notation for 2-amino-5-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]phenol?
The canonical SMILES for 2-amino-5-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]phenol is Nc1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3ccc(F)cc23)cc1O.
What is the InChIKey of 2-amino-5-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]phenol?
The InChIKey is WBEBFMLETCEVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3S/c21-14-7-9-19-16(11-14)17(13-6-8-18(22)20(24)10-13)12-23(19)27(25,26)15-4-2-1-3-5-15/h1-12,24H,22H2.
What are the key properties of 2-amino-5-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]phenol?
2-amino-5-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]phenol has a molecular weight of 382.42 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]phenol is sourced from PubChem (CID 118382516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).