1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine

C14H13FN2O2S — CID 16642565

IUPAC1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine
SMILESNc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2S/c15-11-1-4-13(5-2-11)20(18,19)17-8-7-10-9-12(16)3-6-14(10)17/h1-6,9H,7-8,16H2
InChIKeyRTXUKVZDTLOBHS-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.16
Rot. Bonds2

About 1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine

1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine (PubChem CID 16642565) has the molecular formula C14H13FN2O2S and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine
PubChem CID16642565
Molecular FormulaC14H13FN2O2S
Molecular Weight292.34 g/mol
Exact Mass292.07
IUPAC Name1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine
SMILESNc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2S/c15-11-1-4-13(5-2-11)20(18,19)17-8-7-10-9-12(16)3-6-14(10)17/h1-6,9H,7-8,16H2
InChIKeyRTXUKVZDTLOBHS-UHFFFAOYSA-N
XLogP2.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 16642538
1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 28707138
1-(benzenesulfonyl)-2,3-dihydroindol-5-amine
CID 16642564
5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3575663
2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-yl]benzamide
CID 122190171
[4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanamine
CID 103495192
4-[(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzaldehyde
CID 155923743
4-[(5-acetyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
CID 110737435
2-amino-4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol
CID 103493859
2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanamine
CID 14916960
1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol
CID 10779793
5-amino-N-methyl-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide
CID 54947295

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine (CID 16642565) is 1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine is Nc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine?
The InChIKey is RTXUKVZDTLOBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c15-11-1-4-13(5-2-11)20(18,19)17-8-7-10-9-12(16)3-6-14(10)17/h1-6,9H,7-8,16H2.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine?
1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine has a molecular weight of 292.34 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine is sourced from PubChem (CID 16642565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).