N-[(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide

C17H17FN2O2S — CID 169258244

IUPACN-[(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=C2CCCc3cc(F)ccc32)cc1
InChIInChI=1S/C17H17FN2O2S/c1-12-5-8-15(9-6-12)23(21,22)20-19-17-4-2-3-13-11-14(18)7-10-16(13)17/h5-11,20H,2-4H2,1H3
InChIKeyUMFSISACHLMBQF-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.15
Rot. Bonds3

About N-[(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide

N-[(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide (PubChem CID 169258244) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide
PubChem CID169258244
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC NameN-[(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=C2CCCc3cc(F)ccc32)cc1
InChIInChI=1S/C17H17FN2O2S/c1-12-5-8-15(9-6-12)23(21,22)20-19-17-4-2-3-13-11-14(18)7-10-16(13)17/h5-11,20H,2-4H2,1H3
InChIKeyUMFSISACHLMBQF-UHFFFAOYSA-N
XLogP3.15
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide (CID 169258244) is N-[(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NN=C2CCCc3cc(F)ccc32)cc1.
What is the InChIKey of N-[(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide?
The InChIKey is UMFSISACHLMBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c1-12-5-8-15(9-6-12)23(21,22)20-19-17-4-2-3-13-11-14(18)7-10-16(13)17/h5-11,20H,2-4H2,1H3.
What are the key properties of N-[(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide?
N-[(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide has a molecular weight of 332.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169258244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).