N'-(5-bromothiophen-2-yl)sulfonyl-2-(2-nitrophenoxy)acetohydrazide

C12H10BrN3O6S2 — CID 25469049

IUPACN'-(5-bromothiophen-2-yl)sulfonyl-2-(2-nitrophenoxy)acetohydrazide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H10BrN3O6S2/c13-10-5-6-12(23-10)24(20,21)15-14-11(17)7-22-9-4-2-1-3-8(9)16(18)19/h1-6,15H,7H2,(H,14,17)
InChIKeyDUWYFCADCSCODJ-UHFFFAOYSA-N
MW436.27 g/mol
LogP1.81
Rot. Bonds7

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

N'-(5-bromothiophen-2-yl)sulfonyl-2-(2-nitrophenoxy)acetohydrazide (PubChem CID 25469049) has the molecular formula C12H10BrN3O6S2 and a molecular weight of 436.27 g/mol. Its IUPAC name is N'-(5-bromothiophen-2-yl)sulfonyl-2-(2-nitrophenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-(5-bromothiophen-2-yl)sulfonyl-2-(2-nitrophenoxy)acetohydrazide
PubChem CID25469049
Molecular FormulaC12H10BrN3O6S2
Molecular Weight436.27 g/mol
Exact Mass434.92
IUPAC NameN'-(5-bromothiophen-2-yl)sulfonyl-2-(2-nitrophenoxy)acetohydrazide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H10BrN3O6S2/c13-10-5-6-12(23-10)24(20,21)15-14-11(17)7-22-9-4-2-1-3-8(9)16(18)19/h1-6,15H,7H2,(H,14,17)
InChIKeyDUWYFCADCSCODJ-UHFFFAOYSA-N
XLogP1.81
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7761399
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26887625
N-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide
CID 47439210
3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
CID 17357929
4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 7946066
N-(1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 7793934
N-(2,5-dibromophenyl)-2-(2-nitrophenoxy)acetamide
CID 39166885
2-(4-ethylphenoxy)-N'-(2-nitrophenyl)sulfonylacetohydrazide
CID 3374896
2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 2500342
2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 27554275
N'-[2-(2-nitrophenoxy)acetyl]adamantane-1-carbohydrazide
CID 8800431

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromothiophen-2-yl)sulfonyl-2-(2-nitrophenoxy)acetohydrazide?
The IUPAC name of N'-(5-bromothiophen-2-yl)sulfonyl-2-(2-nitrophenoxy)acetohydrazide (CID 25469049) is N'-(5-bromothiophen-2-yl)sulfonyl-2-(2-nitrophenoxy)acetohydrazide.
What is the SMILES notation for N'-(5-bromothiophen-2-yl)sulfonyl-2-(2-nitrophenoxy)acetohydrazide?
The canonical SMILES for N'-(5-bromothiophen-2-yl)sulfonyl-2-(2-nitrophenoxy)acetohydrazide is O=C(COc1ccccc1[N+](=O)[O-])NNS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of N'-(5-bromothiophen-2-yl)sulfonyl-2-(2-nitrophenoxy)acetohydrazide?
The InChIKey is DUWYFCADCSCODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O6S2/c13-10-5-6-12(23-10)24(20,21)15-14-11(17)7-22-9-4-2-1-3-8(9)16(18)19/h1-6,15H,7H2,(H,14,17).
What are the key properties of N'-(5-bromothiophen-2-yl)sulfonyl-2-(2-nitrophenoxy)acetohydrazide?
N'-(5-bromothiophen-2-yl)sulfonyl-2-(2-nitrophenoxy)acetohydrazide has a molecular weight of 436.27 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromothiophen-2-yl)sulfonyl-2-(2-nitrophenoxy)acetohydrazide is sourced from PubChem (CID 25469049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).