2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-(4-methylphenyl)sulfonylacetohydrazide

C20H19BrN2O4S — CID 4729780

IUPAC2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-(4-methylphenyl)sulfonylacetohydrazide
SMILESCOc1ccc2cc(Br)ccc2c1CC(=O)NNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H19BrN2O4S/c1-13-3-7-16(8-4-13)28(25,26)23-22-20(24)12-18-17-9-6-15(21)11-14(17)5-10-19(18)27-2/h3-11,23H,12H2,1-2H3,(H,22,24)
InChIKeyUQOLPHKHJJNKHE-UHFFFAOYSA-N
MW463.35 g/mol
LogP3.47
Rot. Bonds6

About 2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-(4-methylphenyl)sulfonylacetohydrazide

2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-(4-methylphenyl)sulfonylacetohydrazide (PubChem CID 4729780) has the molecular formula C20H19BrN2O4S and a molecular weight of 463.35 g/mol. Its IUPAC name is 2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-(4-methylphenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-(4-methylphenyl)sulfonylacetohydrazide
PubChem CID4729780
Molecular FormulaC20H19BrN2O4S
Molecular Weight463.35 g/mol
Exact Mass462.02
IUPAC Name2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-(4-methylphenyl)sulfonylacetohydrazide
SMILESCOc1ccc2cc(Br)ccc2c1CC(=O)NNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H19BrN2O4S/c1-13-3-7-16(8-4-13)28(25,26)23-22-20(24)12-18-17-9-6-15(21)11-14(17)5-10-19(18)27-2/h3-11,23H,12H2,1-2H3,(H,22,24)
InChIKeyUQOLPHKHJJNKHE-UHFFFAOYSA-N
XLogP3.47
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.35
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[(2S)-butan-2-yl]acetamide
CID 2234260
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[5-[[2-(6-bromo-2-methoxynaphthalen-1-yl)acetyl]amino]naphthalen-1-yl]acetamide
CID 4729799
2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide
CID 4729784
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-iodophenyl)acetamide
CID 4729727
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-chlorophenyl)acetamide
CID 4729726
2-(6-bromo-2-methoxynaphthalen-1-yl)-N,N-diethylacetamide
CID 1034200
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(2,4-dimethyl-6-nitrophenyl)acetamide
CID 4729731
N'-(4-methylphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide
CID 2797423
5-[(6-bromo-2-methoxynaphthalen-1-yl)methylamino]-5-oxopentanoic acid
CID 3484079
6-bromo-2-methoxy-1-methylnaphthalene;(6-bromo-2-methoxynaphthalen-1-yl)methanol
CID 70197174
1-N',4-N'-bis-(4-methylphenyl)sulfonylbutanedihydrazide
CID 5153632
N'-(3-bromo-4-methoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4816112

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-(4-methylphenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-(4-methylphenyl)sulfonylacetohydrazide (CID 4729780) is 2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-(4-methylphenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-(4-methylphenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-(4-methylphenyl)sulfonylacetohydrazide is COc1ccc2cc(Br)ccc2c1CC(=O)NNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-(4-methylphenyl)sulfonylacetohydrazide?
The InChIKey is UQOLPHKHJJNKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O4S/c1-13-3-7-16(8-4-13)28(25,26)23-22-20(24)12-18-17-9-6-15(21)11-14(17)5-10-19(18)27-2/h3-11,23H,12H2,1-2H3,(H,22,24).
What are the key properties of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-(4-methylphenyl)sulfonylacetohydrazide?
2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-(4-methylphenyl)sulfonylacetohydrazide has a molecular weight of 463.35 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-(4-methylphenyl)sulfonylacetohydrazide is sourced from PubChem (CID 4729780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).