2-(4-chlorophenoxy)-N'-(4-propylphenyl)sulfonylacetohydrazide

C17H19ClN2O4S — CID 8615109

IUPAC2-(4-chlorophenoxy)-N'-(4-propylphenyl)sulfonylacetohydrazide
SMILESCCCc1ccc(S(=O)(=O)NNC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-2-3-13-4-10-16(11-5-13)25(22,23)20-19-17(21)12-24-15-8-6-14(18)7-9-15/h4-11,20H,2-3,12H2,1H3,(H,19,21)
InChIKeySIOXEQNJDKCKFQ-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.68
Rot. Bonds8

About 2-(4-chlorophenoxy)-N'-(4-propylphenyl)sulfonylacetohydrazide

2-(4-chlorophenoxy)-N'-(4-propylphenyl)sulfonylacetohydrazide (PubChem CID 8615109) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N'-(4-propylphenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N'-(4-propylphenyl)sulfonylacetohydrazide
PubChem CID8615109
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name2-(4-chlorophenoxy)-N'-(4-propylphenyl)sulfonylacetohydrazide
SMILESCCCc1ccc(S(=O)(=O)NNC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-2-3-13-4-10-16(11-5-13)25(22,23)20-19-17(21)12-24-15-8-6-14(18)7-9-15/h4-11,20H,2-3,12H2,1H3,(H,19,21)
InChIKeySIOXEQNJDKCKFQ-UHFFFAOYSA-N
XLogP2.68
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.68
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'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(4-chlorophenoxy)acetohydrazide
CID 8615100
N'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide
CID 905489
2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 3374893
N'-(3,4-difluorophenyl)sulfonyl-2-(4-ethylphenoxy)acetohydrazide
CID 8614849
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-ethylacetamide
CID 4238795
2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide
CID 8614803
N-(4-chlorophenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 5185109
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)acetamide
CID 166208857
N'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide
CID 26982271
N'-(benzenesulfonyl)-2-(4-methoxyphenoxy)acetohydrazide
CID 917648
2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide
CID 19166679
2-(4-chlorophenyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide
CID 31467291

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N'-(4-propylphenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(4-chlorophenoxy)-N'-(4-propylphenyl)sulfonylacetohydrazide (CID 8615109) is 2-(4-chlorophenoxy)-N'-(4-propylphenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N'-(4-propylphenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(4-chlorophenoxy)-N'-(4-propylphenyl)sulfonylacetohydrazide is CCCc1ccc(S(=O)(=O)NNC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N'-(4-propylphenyl)sulfonylacetohydrazide?
The InChIKey is SIOXEQNJDKCKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-2-3-13-4-10-16(11-5-13)25(22,23)20-19-17(21)12-24-15-8-6-14(18)7-9-15/h4-11,20H,2-3,12H2,1H3,(H,19,21).
What are the key properties of 2-(4-chlorophenoxy)-N'-(4-propylphenyl)sulfonylacetohydrazide?
2-(4-chlorophenoxy)-N'-(4-propylphenyl)sulfonylacetohydrazide has a molecular weight of 382.87 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N'-(4-propylphenyl)sulfonylacetohydrazide is sourced from PubChem (CID 8615109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).