N'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide

C14H13ClN2O4S — CID 905489

IUPACN'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H13ClN2O4S/c15-11-6-8-12(9-7-11)21-10-14(18)16-17-22(19,20)13-4-2-1-3-5-13/h1-9,17H,10H2,(H,16,18)
InChIKeyKOFTZNSHCFZVAE-UHFFFAOYSA-N
MW340.79 g/mol
LogP1.73
Rot. Bonds6

About N'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide

N'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide (PubChem CID 905489) has the molecular formula C14H13ClN2O4S and a molecular weight of 340.79 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide
PubChem CID905489
Molecular FormulaC14H13ClN2O4S
Molecular Weight340.79 g/mol
Exact Mass340.03
IUPAC NameN'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H13ClN2O4S/c15-11-6-8-12(9-7-11)21-10-14(18)16-17-22(19,20)13-4-2-1-3-5-13/h1-9,17H,10H2,(H,16,18)
InChIKeyKOFTZNSHCFZVAE-UHFFFAOYSA-N
XLogP1.73
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 51.73
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

N'-(benzenesulfonyl)-2-(4-methoxyphenoxy)acetohydrazide
CID 917648
N'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide
CID 26982271
2-(4-chlorophenoxy)-N'-(4-propylphenyl)sulfonylacetohydrazide
CID 8615109
N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(4-chlorophenoxy)acetohydrazide
CID 8615100
2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide
CID 19166679
N'-(benzenesulfonamido)-2-(4-chlorophenoxy)ethanimidamide
CID 3265581
N-[4-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-2-(4-chlorophenoxy)acetamide
CID 1004876
N'-(4-ethoxyphenyl)sulfonyl-2-phenylacetohydrazide
CID 7974595
2-(4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 3372388
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide
CID 2420734
2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 3374893

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide (CID 905489) is N'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide is O=C(COc1ccc(Cl)cc1)NNS(=O)(=O)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide?
The InChIKey is KOFTZNSHCFZVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4S/c15-11-6-8-12(9-7-11)21-10-14(18)16-17-22(19,20)13-4-2-1-3-5-13/h1-9,17H,10H2,(H,16,18).
What are the key properties of N'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide?
N'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide has a molecular weight of 340.79 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide is sourced from PubChem (CID 905489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).