N'-butylsulfonyl-2-(4-chlorophenyl)sulfonylacetohydrazide

C12H17ClN2O5S2 — CID 146673616

IUPACN'-butylsulfonyl-2-(4-chlorophenyl)sulfonylacetohydrazide
SMILESCCCCS(=O)(=O)NNC(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O5S2/c1-2-3-8-22(19,20)15-14-12(16)9-21(17,18)11-6-4-10(13)5-7-11/h4-7,15H,2-3,8-9H2,1H3,(H,14,16)
InChIKeyTYPDRQSYZLNMIW-UHFFFAOYSA-N
MW368.86 g/mol
LogP0.86
Rot. Bonds8

About N'-butylsulfonyl-2-(4-chlorophenyl)sulfonylacetohydrazide

N'-butylsulfonyl-2-(4-chlorophenyl)sulfonylacetohydrazide (PubChem CID 146673616) has the molecular formula C12H17ClN2O5S2 and a molecular weight of 368.86 g/mol. Its IUPAC name is N'-butylsulfonyl-2-(4-chlorophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound NameN'-butylsulfonyl-2-(4-chlorophenyl)sulfonylacetohydrazide
PubChem CID146673616
Molecular FormulaC12H17ClN2O5S2
Molecular Weight368.86 g/mol
Exact Mass368.03
IUPAC NameN'-butylsulfonyl-2-(4-chlorophenyl)sulfonylacetohydrazide
SMILESCCCCS(=O)(=O)NNC(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O5S2/c1-2-3-8-22(19,20)15-14-12(16)9-21(17,18)11-6-4-10(13)5-7-11/h4-7,15H,2-3,8-9H2,1H3,(H,14,16)
InChIKeyTYPDRQSYZLNMIW-UHFFFAOYSA-N
XLogP0.86
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 50.86
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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Frequently Asked Questions

What is the IUPAC name of N'-butylsulfonyl-2-(4-chlorophenyl)sulfonylacetohydrazide?
The IUPAC name of N'-butylsulfonyl-2-(4-chlorophenyl)sulfonylacetohydrazide (CID 146673616) is N'-butylsulfonyl-2-(4-chlorophenyl)sulfonylacetohydrazide.
What is the SMILES notation for N'-butylsulfonyl-2-(4-chlorophenyl)sulfonylacetohydrazide?
The canonical SMILES for N'-butylsulfonyl-2-(4-chlorophenyl)sulfonylacetohydrazide is CCCCS(=O)(=O)NNC(=O)CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-butylsulfonyl-2-(4-chlorophenyl)sulfonylacetohydrazide?
The InChIKey is TYPDRQSYZLNMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O5S2/c1-2-3-8-22(19,20)15-14-12(16)9-21(17,18)11-6-4-10(13)5-7-11/h4-7,15H,2-3,8-9H2,1H3,(H,14,16).
What are the key properties of N'-butylsulfonyl-2-(4-chlorophenyl)sulfonylacetohydrazide?
N'-butylsulfonyl-2-(4-chlorophenyl)sulfonylacetohydrazide has a molecular weight of 368.86 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butylsulfonyl-2-(4-chlorophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 146673616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).