[4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanamine

C15H15FN2O2S — CID 103495192

IUPAC[4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanamine
SMILESNCc1ccc(S(=O)(=O)N2CCc3ccc(F)cc32)cc1
InChIInChI=1S/C15H15FN2O2S/c16-13-4-3-12-7-8-18(15(12)9-13)21(19,20)14-5-1-11(10-17)2-6-14/h1-6,9H,7-8,10,17H2
InChIKeyQZUSIVYYLQNAGA-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.04
Rot. Bonds3

About [4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanamine

[4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanamine (PubChem CID 103495192) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is [4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanamine
PubChem CID103495192
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name[4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanamine
SMILESNCc1ccc(S(=O)(=O)N2CCc3ccc(F)cc32)cc1
InChIInChI=1S/C15H15FN2O2S/c16-13-4-3-12-7-8-18(15(12)9-13)21(19,20)14-5-1-11(10-17)2-6-14/h1-6,9H,7-8,10,17H2
InChIKeyQZUSIVYYLQNAGA-UHFFFAOYSA-N
XLogP2.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol
CID 103493859
3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol
CID 103499722
2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine
CID 103495195
6-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole
CID 60603664
1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 16642565
2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]butan-1-amine
CID 103495190
1-(2,6-difluorophenyl)-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanone
CID 159962805
methyl 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-2-hydroxybenzoate
CID 71882388
5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3575663
1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-6-fluoro-2,3-dihydroindole
CID 103504169
2-fluoro-5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid
CID 56797641
1-(3-chloro-2-methylpropyl)sulfonyl-6-fluoro-2,3-dihydroindole
CID 113249349

Frequently Asked Questions

What is the IUPAC name of [4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanamine?
The IUPAC name of [4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanamine (CID 103495192) is [4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanamine.
What is the SMILES notation for [4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanamine?
The canonical SMILES for [4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanamine is NCc1ccc(S(=O)(=O)N2CCc3ccc(F)cc32)cc1.
What is the InChIKey of [4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanamine?
The InChIKey is QZUSIVYYLQNAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-13-4-3-12-7-8-18(15(12)9-13)21(19,20)14-5-1-11(10-17)2-6-14/h1-6,9H,7-8,10,17H2.
What are the key properties of [4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanamine?
[4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanamine has a molecular weight of 306.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanamine is sourced from PubChem (CID 103495192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).