N'-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenoxy)acetohydrazide

C13H13BrN2O4S2 — CID 8505825

IUPACN'-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
SMILESCc1cccc(OCC(=O)NNS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C13H13BrN2O4S2/c1-9-3-2-4-10(7-9)20-8-12(17)15-16-22(18,19)13-6-5-11(14)21-13/h2-7,16H,8H2,1H3,(H,15,17)
InChIKeyJUEQYCULHXZJLO-UHFFFAOYSA-N
MW405.30 g/mol
LogP2.21
Rot. Bonds6

About N'-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenoxy)acetohydrazide

N'-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenoxy)acetohydrazide (PubChem CID 8505825) has the molecular formula C13H13BrN2O4S2 and a molecular weight of 405.30 g/mol. Its IUPAC name is N'-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
PubChem CID8505825
Molecular FormulaC13H13BrN2O4S2
Molecular Weight405.30 g/mol
Exact Mass403.95
IUPAC NameN'-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
SMILESCc1cccc(OCC(=O)NNS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C13H13BrN2O4S2/c1-9-3-2-4-10(7-9)20-8-12(17)15-16-22(18,19)13-6-5-11(14)21-13/h2-7,16H,8H2,1H3,(H,15,17)
InChIKeyJUEQYCULHXZJLO-UHFFFAOYSA-N
XLogP2.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
CID 8505734
N'-(2,5-dichlorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
CID 8505751
N-[(5-bromothiophen-2-yl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 1035045
N-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide
CID 1034415
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
methyl 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 28638195
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-[2-methoxy-4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide
CID 8505793
N'-(5-bromothiophen-2-yl)sulfonyl-4-methylbenzohydrazide
CID 8616801
2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 17140856
5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
CID 4949760
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenoxy)acetohydrazide?
The IUPAC name of N'-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenoxy)acetohydrazide (CID 8505825) is N'-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenoxy)acetohydrazide.
What is the SMILES notation for N'-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenoxy)acetohydrazide?
The canonical SMILES for N'-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenoxy)acetohydrazide is Cc1cccc(OCC(=O)NNS(=O)(=O)c2ccc(Br)s2)c1.
What is the InChIKey of N'-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenoxy)acetohydrazide?
The InChIKey is JUEQYCULHXZJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O4S2/c1-9-3-2-4-10(7-9)20-8-12(17)15-16-22(18,19)13-6-5-11(14)21-13/h2-7,16H,8H2,1H3,(H,15,17).
What are the key properties of N'-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenoxy)acetohydrazide?
N'-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenoxy)acetohydrazide has a molecular weight of 405.30 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenoxy)acetohydrazide is sourced from PubChem (CID 8505825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).