6-fluoro-N-(4-methylsulfonyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine

C16H15FN2O4S — CID 133292617

IUPAC6-fluoro-N-(4-methylsulfonyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCS(=O)(=O)c1ccc(NC2CCc3ccc(F)cc32)c([N+](=O)[O-])c1
InChIInChI=1S/C16H15FN2O4S/c1-24(22,23)12-5-7-15(16(9-12)19(20)21)18-14-6-3-10-2-4-11(17)8-13(10)14/h2,4-5,7-9,14,18H,3,6H2,1H3
InChIKeyVUZXMEVINMJEQQ-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.24
Rot. Bonds4

About 6-fluoro-N-(4-methylsulfonyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine

6-fluoro-N-(4-methylsulfonyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 133292617) has the molecular formula C16H15FN2O4S and a molecular weight of 350.37 g/mol. Its IUPAC name is 6-fluoro-N-(4-methylsulfonyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-fluoro-N-(4-methylsulfonyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID133292617
Molecular FormulaC16H15FN2O4S
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC Name6-fluoro-N-(4-methylsulfonyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCS(=O)(=O)c1ccc(NC2CCc3ccc(F)cc32)c([N+](=O)[O-])c1
InChIInChI=1S/C16H15FN2O4S/c1-24(22,23)12-5-7-15(16(9-12)19(20)21)18-14-6-3-10-2-4-11(17)8-13(10)14/h2,4-5,7-9,14,18H,3,6H2,1H3
InChIKeyVUZXMEVINMJEQQ-UHFFFAOYSA-N
XLogP3.24
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N-(4-fluoro-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79725762
1-methyl-3-(4-methylsulfonyl-2-nitroanilino)pyrrolidin-2-one
CID 103680826
1-[3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-methylsulfonylphenyl]ethanone
CID 124886101
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(methylsulfamoyl)benzamide
CID 56782488
2,2-dimethyl-N-(4-methylsulfonyl-2-nitrophenyl)-3,4-dihydrochromen-4-amine
CID 133363308
N-(5-fluoro-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62376615
(4-methylsulfonyl-2-nitrophenyl)hydrazine
CID 3986701
4-methylsulfonyl-2-nitro-N-(2-propylcyclopropyl)aniline
CID 103710907
2-(3,4-difluorophenyl)-N-(4-methylsulfonyl-2-nitrophenyl)oxolan-3-amine
CID 133435348
2-[2-(4-methylsulfonyl-2-nitroanilino)cyclopentyl]ethanol
CID 133496144
6-fluoro-N-[4-(2-methylsulfonylethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 86783194
1-cyclopropyl-5-methyl-N-(4-methylsulfonyl-2-nitrophenyl)pyrrolidin-3-amine
CID 133347843

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-methylsulfonyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-fluoro-N-(4-methylsulfonyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine (CID 133292617) is 6-fluoro-N-(4-methylsulfonyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-fluoro-N-(4-methylsulfonyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-fluoro-N-(4-methylsulfonyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine is CS(=O)(=O)c1ccc(NC2CCc3ccc(F)cc32)c([N+](=O)[O-])c1.
What is the InChIKey of 6-fluoro-N-(4-methylsulfonyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is VUZXMEVINMJEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4S/c1-24(22,23)12-5-7-15(16(9-12)19(20)21)18-14-6-3-10-2-4-11(17)8-13(10)14/h2,4-5,7-9,14,18H,3,6H2,1H3.
What are the key properties of 6-fluoro-N-(4-methylsulfonyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine?
6-fluoro-N-(4-methylsulfonyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 350.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-methylsulfonyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 133292617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).