2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzenesulfonamide

C14H14FN3O2S — CID 103494011

IUPAC2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzenesulfonamide
SMILESNc1c(N2CCc3ccc(F)cc32)cccc1S(N)(=O)=O
InChIInChI=1S/C14H14FN3O2S/c15-10-5-4-9-6-7-18(12(9)8-10)11-2-1-3-13(14(11)16)21(17,19)20/h1-5,8H,6-7,16H2,(H2,17,19,20)
InChIKeyRHJUJTJTEBMNDN-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.75
Rot. Bonds2

About 2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzenesulfonamide

2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzenesulfonamide (PubChem CID 103494011) has the molecular formula C14H14FN3O2S and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzenesulfonamide
PubChem CID103494011
Molecular FormulaC14H14FN3O2S
Molecular Weight307.35 g/mol
Exact Mass307.08
IUPAC Name2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzenesulfonamide
SMILESNc1c(N2CCc3ccc(F)cc32)cccc1S(N)(=O)=O
InChIInChI=1S/C14H14FN3O2S/c15-10-5-4-9-6-7-18(12(9)8-10)11-2-1-3-13(14(11)16)21(17,19)20/h1-5,8H,6-7,16H2,(H2,17,19,20)
InChIKeyRHJUJTJTEBMNDN-UHFFFAOYSA-N
XLogP1.75
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103493907
[2-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 103494043
2-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)benzenesulfonamide
CID 115992229
(1S)-1-[2-fluoro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496718
4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzaldehyde
CID 103497669
3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103496505
3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103501357
3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline
CID 103493897
2-(2,3-dihydroindol-1-yl)-4,6-difluoroaniline
CID 113325091
3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzaldehyde
CID 103497651
2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 103493914
5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103495541

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzenesulfonamide?
The IUPAC name of 2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzenesulfonamide (CID 103494011) is 2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzenesulfonamide is Nc1c(N2CCc3ccc(F)cc32)cccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzenesulfonamide?
The InChIKey is RHJUJTJTEBMNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2S/c15-10-5-4-9-6-7-18(12(9)8-10)11-2-1-3-13(14(11)16)21(17,19)20/h1-5,8H,6-7,16H2,(H2,17,19,20).
What are the key properties of 2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzenesulfonamide?
2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzenesulfonamide has a molecular weight of 307.35 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzenesulfonamide is sourced from PubChem (CID 103494011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).