4-bromo-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide

C17H17BrN2O3S — CID 9121006

IUPAC4-bromo-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide
SMILESCOc1ccc2c(c1)CCCC2=NNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O3S/c1-23-14-7-10-16-12(11-14)3-2-4-17(16)19-20-24(21,22)15-8-5-13(18)6-9-15/h5-11,20H,2-4H2,1H3
InChIKeyNQWQLLQUTDJSKZ-UHFFFAOYSA-N
MW409.31 g/mol
LogP3.48
Rot. Bonds4

About 4-bromo-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide

4-bromo-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide (PubChem CID 9121006) has the molecular formula C17H17BrN2O3S and a molecular weight of 409.31 g/mol. Its IUPAC name is 4-bromo-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide
PubChem CID9121006
Molecular FormulaC17H17BrN2O3S
Molecular Weight409.31 g/mol
Exact Mass408.01
IUPAC Name4-bromo-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide
SMILESCOc1ccc2c(c1)CCCC2=NNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O3S/c1-23-14-7-10-16-12(11-14)3-2-4-17(16)19-20-24(21,22)15-8-5-13(18)6-9-15/h5-11,20H,2-4H2,1H3
InChIKeyNQWQLLQUTDJSKZ-UHFFFAOYSA-N
XLogP3.48
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 53.48
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

4-bromo-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide
CID 5432349
[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
CID 2807504
N-[(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide
CID 169258244
N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylaniline
CID 6076381
N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-nitroaniline
CID 9059234
1-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-propan-2-ylthiourea
CID 8978994
4-bromo-N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzenesulfonamide
CID 3925592
4-bromo-N-(cyclooctylideneamino)benzenesulfonamide
CID 1012381
N-(4-bromophenyl)-2-[(2Z)-2-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135706525
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
N-[(Z)-(5-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide
CID 129395280
4-bromo-N-[(3,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643274

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide (CID 9121006) is 4-bromo-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide is COc1ccc2c(c1)CCCC2=NNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide?
The InChIKey is NQWQLLQUTDJSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3S/c1-23-14-7-10-16-12(11-14)3-2-4-17(16)19-20-24(21,22)15-8-5-13(18)6-9-15/h5-11,20H,2-4H2,1H3.
What are the key properties of 4-bromo-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide?
4-bromo-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide has a molecular weight of 409.31 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide is sourced from PubChem (CID 9121006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).