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

C14H13ClN2O5S2 — CID 146673628

IUPACN'-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylacetohydrazide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H13ClN2O5S2/c15-11-6-8-12(9-7-11)23(19,20)10-14(18)16-17-24(21,22)13-4-2-1-3-5-13/h1-9,17H,10H2,(H,16,18)
InChIKeyTYLOUJBLUIAKMI-UHFFFAOYSA-N
MW388.85 g/mol
LogP1.12
Rot. Bonds6

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

N'-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylacetohydrazide (PubChem CID 146673628) has the molecular formula C14H13ClN2O5S2 and a molecular weight of 388.85 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylacetohydrazide
PubChem CID146673628
Molecular FormulaC14H13ClN2O5S2
Molecular Weight388.85 g/mol
Exact Mass388.00
IUPAC NameN'-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylacetohydrazide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H13ClN2O5S2/c15-11-6-8-12(9-7-11)23(19,20)10-14(18)16-17-24(21,22)13-4-2-1-3-5-13/h1-9,17H,10H2,(H,16,18)
InChIKeyTYLOUJBLUIAKMI-UHFFFAOYSA-N
XLogP1.12
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 51.12
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'-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylacetohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylacetohydrazide (CID 146673628) is N'-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylacetohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylacetohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylacetohydrazide is O=C(CS(=O)(=O)c1ccc(Cl)cc1)NNS(=O)(=O)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylacetohydrazide?
The InChIKey is TYLOUJBLUIAKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O5S2/c15-11-6-8-12(9-7-11)23(19,20)10-14(18)16-17-24(21,22)13-4-2-1-3-5-13/h1-9,17H,10H2,(H,16,18).
What are the key properties of N'-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylacetohydrazide?
N'-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylacetohydrazide has a molecular weight of 388.85 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 146673628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).