N-[(Z)-(5-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide

C17H17BrN2O2S — CID 129395280

IUPACN-[(Z)-(5-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C2/CCCc3c(Br)cccc32)cc1
InChIInChI=1S/C17H17BrN2O2S/c1-12-8-10-13(11-9-12)23(21,22)20-19-17-7-3-4-14-15(17)5-2-6-16(14)18/h2,5-6,8-11,20H,3-4,7H2,1H3/b19-17-
InChIKeyMRHLHQCWNJLBGQ-ZPHPHTNESA-N
MW393.31 g/mol
LogP3.78
Rot. Bonds3

About N-[(Z)-(5-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide

N-[(Z)-(5-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide (PubChem CID 129395280) has the molecular formula C17H17BrN2O2S and a molecular weight of 393.31 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide
PubChem CID129395280
Molecular FormulaC17H17BrN2O2S
Molecular Weight393.31 g/mol
Exact Mass392.02
IUPAC NameN-[(Z)-(5-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C2/CCCc3c(Br)cccc32)cc1
InChIInChI=1S/C17H17BrN2O2S/c1-12-8-10-13(11-9-12)23(21,22)20-19-17-7-3-4-14-15(17)5-2-6-16(14)18/h2,5-6,8-11,20H,3-4,7H2,1H3/b19-17-
InChIKeyMRHLHQCWNJLBGQ-ZPHPHTNESA-N
XLogP3.78
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 53.78
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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Related Compounds

N-[(Z)-[4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide
CID 23539545
4-bromo-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide
CID 5432349
N-[(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide
CID 169258244
N-[(E)-[4-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide
CID 87787954
4-methyl-N-[(E)-(3-methylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide
CID 6162685
N-[(Z)-1,2,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-3-ylideneamino]-4-methylbenzenesulfonamide
CID 20565981
4-bromo-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide
CID 9121006
N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzenesulfonamide
CID 174143733
[(E)-(5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
CID 6253555
4-bromo-N-[(1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]benzenesulfonamide
CID 3887466
4-methyl-N-[(E)-oxan-3-ylideneamino]benzenesulfonamide
CID 5465868
N-[(Z)-cyclohex-2-en-1-ylideneamino]-4-methylbenzenesulfonamide
CID 6510927

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(Z)-(5-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide (CID 129395280) is N-[(Z)-(5-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-(5-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-(5-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C2/CCCc3c(Br)cccc32)cc1.
What is the InChIKey of N-[(Z)-(5-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide?
The InChIKey is MRHLHQCWNJLBGQ-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H17BrN2O2S/c1-12-8-10-13(11-9-12)23(21,22)20-19-17-7-3-4-14-15(17)5-2-6-16(14)18/h2,5-6,8-11,20H,3-4,7H2,1H3/b19-17-.
What are the key properties of N-[(Z)-(5-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide?
N-[(Z)-(5-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide has a molecular weight of 393.31 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 129395280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).