N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzenesulfonamide

C16H14F2N2O3S — CID 174143733

IUPACN-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=C2CCOc3c2ccc(F)c3F)cc1
InChIInChI=1S/C16H14F2N2O3S/c1-10-2-4-11(5-3-10)24(21,22)20-19-14-8-9-23-16-12(14)6-7-13(17)15(16)18/h2-7,20H,8-9H2,1H3
InChIKeyUWIZPAYKGVDGOH-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.74
Rot. Bonds3

About N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzenesulfonamide

N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzenesulfonamide (PubChem CID 174143733) has the molecular formula C16H14F2N2O3S and a molecular weight of 352.36 g/mol. Its IUPAC name is N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzenesulfonamide
PubChem CID174143733
Molecular FormulaC16H14F2N2O3S
Molecular Weight352.36 g/mol
Exact Mass352.07
IUPAC NameN-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=C2CCOc3c2ccc(F)c3F)cc1
InChIInChI=1S/C16H14F2N2O3S/c1-10-2-4-11(5-3-10)24(21,22)20-19-14-8-9-23-16-12(14)6-7-13(17)15(16)18/h2-7,20H,8-9H2,1H3
InChIKeyUWIZPAYKGVDGOH-UHFFFAOYSA-N
XLogP2.74
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzamide
CID 175481764
N-[(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide
CID 169258244
4-methyl-N-[[(1S,4R,6S,9R)-12-[(4-methylphenyl)sulfonylhydrazinylidene]-5-tetracyclo[7.2.1.04,11.06,10]dodecanylidene]amino]benzenesulfonamide
CID 125034492
4-methyl-N-[(E)-oxan-3-ylideneamino]benzenesulfonamide
CID 5465868
N-[(Z)-(5-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide
CID 129395280
4-methyl-N-[[(1R,4R,6S,9S)-12-[(4-methylphenyl)sulfonylhydrazinylidene]-5-tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-dienylidene]amino]benzenesulfonamide
CID 98164119
N-[(Z)-1,2,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-3-ylideneamino]-4-methylbenzenesulfonamide
CID 20565981
4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
CID 3540750
N-[(E)-[(1R,7S)-2-bicyclo[5.1.0]octanylidene]amino]-4-methylbenzenesulfonamide
CID 6860198
5,8-difluoro-4-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-chromene
CID 143514151
N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide
CID 59365939
N-[(Z)-[4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide
CID 23539545

Frequently Asked Questions

What is the IUPAC name of N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzenesulfonamide (CID 174143733) is N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NN=C2CCOc3c2ccc(F)c3F)cc1.
What is the InChIKey of N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzenesulfonamide?
The InChIKey is UWIZPAYKGVDGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3S/c1-10-2-4-11(5-3-10)24(21,22)20-19-14-8-9-23-16-12(14)6-7-13(17)15(16)18/h2-7,20H,8-9H2,1H3.
What are the key properties of N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzenesulfonamide?
N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzenesulfonamide has a molecular weight of 352.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 174143733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).