2-fluoro-5-indol-1-ylsulfonylaniline

C14H11FN2O2S — CID 71494011

IUPAC2-fluoro-5-indol-1-ylsulfonylaniline
SMILESNc1cc(S(=O)(=O)n2ccc3ccccc32)ccc1F
InChIInChI=1S/C14H11FN2O2S/c15-12-6-5-11(9-13(12)16)20(18,19)17-8-7-10-3-1-2-4-14(10)17/h1-9H,16H2
InChIKeyULYNIXVPGUYIHJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.60
Rot. Bonds2

About 2-fluoro-5-indol-1-ylsulfonylaniline

2-fluoro-5-indol-1-ylsulfonylaniline (PubChem CID 71494011) has the molecular formula C14H11FN2O2S and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-fluoro-5-indol-1-ylsulfonylaniline.

Molecular Properties

Compound Name2-fluoro-5-indol-1-ylsulfonylaniline
PubChem CID71494011
Molecular FormulaC14H11FN2O2S
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC Name2-fluoro-5-indol-1-ylsulfonylaniline
SMILESNc1cc(S(=O)(=O)n2ccc3ccccc32)ccc1F
InChIInChI=1S/C14H11FN2O2S/c15-12-6-5-11(9-13(12)16)20(18,19)17-8-7-10-3-1-2-4-14(10)17/h1-9H,16H2
InChIKeyULYNIXVPGUYIHJ-UHFFFAOYSA-N
XLogP2.60
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-5-indol-1-ylsulfonylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)sulfonylindole
CID 4689237
3-indol-1-ylsulfonylphenol
CID 59272903
1-(3-bromo-4-methylphenyl)sulfonylindole
CID 66766050
ethane;1-(3-methoxyphenyl)sulfonylindole
CID 157094822
5-indol-1-yl-1-(4-methylphenyl)sulfonylindole
CID 177408616
1-(2-methylphenyl)sulfonylindole
CID 53400635
1-(benzenesulfonyl)-5-(4-fluorophenyl)indole
CID 164547009
1-(benzenesulfonyl)indole-6-carbaldehyde
CID 10731848
1-[4-bromo-3-[(4-ethylpiperazin-1-yl)methyl]phenyl]sulfonylindole;dihydrochloride
CID 45111007
2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 66392269
N-(2-aminophenyl)-1-(4-phenylphenyl)sulfonylindole-5-carboxamide
CID 126556225
1-(benzenesulfonyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylindole
CID 124563441

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-indol-1-ylsulfonylaniline?
The IUPAC name of 2-fluoro-5-indol-1-ylsulfonylaniline (CID 71494011) is 2-fluoro-5-indol-1-ylsulfonylaniline.
What is the SMILES notation for 2-fluoro-5-indol-1-ylsulfonylaniline?
The canonical SMILES for 2-fluoro-5-indol-1-ylsulfonylaniline is Nc1cc(S(=O)(=O)n2ccc3ccccc32)ccc1F.
What is the InChIKey of 2-fluoro-5-indol-1-ylsulfonylaniline?
The InChIKey is ULYNIXVPGUYIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2S/c15-12-6-5-11(9-13(12)16)20(18,19)17-8-7-10-3-1-2-4-14(10)17/h1-9H,16H2.
What are the key properties of 2-fluoro-5-indol-1-ylsulfonylaniline?
2-fluoro-5-indol-1-ylsulfonylaniline has a molecular weight of 290.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-indol-1-ylsulfonylaniline is sourced from PubChem (CID 71494011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).