4-bromo-N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzenesulfonamide

C19H17BrN2O3S — CID 3925592

IUPAC4-bromo-N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzenesulfonamide
SMILESCOc1ccc2cc(C(C)=NNS(=O)(=O)c3ccc(Br)cc3)ccc2c1
InChIInChI=1S/C19H17BrN2O3S/c1-13(21-22-26(23,24)19-9-6-17(20)7-10-19)14-3-4-16-12-18(25-2)8-5-15(16)11-14/h3-12,22H,1-2H3
InChIKeyXYRJTROBZKPYMT-UHFFFAOYSA-N
MW433.33 g/mol
LogP4.31
Rot. Bonds5

About 4-bromo-N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzenesulfonamide

4-bromo-N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzenesulfonamide (PubChem CID 3925592) has the molecular formula C19H17BrN2O3S and a molecular weight of 433.33 g/mol. Its IUPAC name is 4-bromo-N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzenesulfonamide
PubChem CID3925592
Molecular FormulaC19H17BrN2O3S
Molecular Weight433.33 g/mol
Exact Mass432.01
IUPAC Name4-bromo-N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzenesulfonamide
SMILESCOc1ccc2cc(C(C)=NNS(=O)(=O)c3ccc(Br)cc3)ccc2c1
InChIInChI=1S/C19H17BrN2O3S/c1-13(21-22-26(23,24)19-9-6-17(20)7-10-19)14-3-4-16-12-18(25-2)8-5-15(16)11-14/h3-12,22H,1-2H3
InChIKeyXYRJTROBZKPYMT-UHFFFAOYSA-N
XLogP4.31
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.33
LogP ≤ 54.31
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-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073564
4-bromo-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]benzenesulfonamide
CID 6052627
4-bromo-N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]benzenesulfonamide
CID 3885165
4-bromo-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]benzenesulfonamide
CID 9120982
N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide
CID 5000888
4-bromo-N-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]benzenesulfonamide
CID 9120965
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 6173114
4-methoxy-N-[(E)-1-(7-methoxy-2-oxochromen-3-yl)ethylideneamino]benzenesulfonamide
CID 176514673
4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide
CID 6009587
N-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide
CID 6381588
4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate
CID 7295893
N-[(Z)-1-(3-bromophenyl)ethylideneamino]-4-chlorobenzenesulfonamide
CID 6153990

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzenesulfonamide (CID 3925592) is 4-bromo-N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzenesulfonamide is COc1ccc2cc(C(C)=NNS(=O)(=O)c3ccc(Br)cc3)ccc2c1.
What is the InChIKey of 4-bromo-N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzenesulfonamide?
The InChIKey is XYRJTROBZKPYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3S/c1-13(21-22-26(23,24)19-9-6-17(20)7-10-19)14-3-4-16-12-18(25-2)8-5-15(16)11-14/h3-12,22H,1-2H3.
What are the key properties of 4-bromo-N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzenesulfonamide?
4-bromo-N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzenesulfonamide has a molecular weight of 433.33 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 3925592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).