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

C14H12ClN3O5S — CID 1129575

IUPAC2-(4-chlorophenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12ClN3O5S/c15-11-3-1-10(2-4-11)9-14(19)16-17-24(22,23)13-7-5-12(6-8-13)18(20)21/h1-8,17H,9H2,(H,16,19)
InChIKeyKNXVLQFHABMUAV-UHFFFAOYSA-N
MW369.79 g/mol
LogP1.80
Rot. Bonds6

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

2-(4-chlorophenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide (PubChem CID 1129575) has the molecular formula C14H12ClN3O5S and a molecular weight of 369.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide
PubChem CID1129575
Molecular FormulaC14H12ClN3O5S
Molecular Weight369.79 g/mol
Exact Mass369.02
IUPAC Name2-(4-chlorophenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12ClN3O5S/c15-11-3-1-10(2-4-11)9-14(19)16-17-24(22,23)13-7-5-12(6-8-13)18(20)21/h1-8,17H,9H2,(H,16,19)
InChIKeyKNXVLQFHABMUAV-UHFFFAOYSA-N
XLogP1.80
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.79
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(4-chlorophenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide (CID 1129575) is 2-(4-chlorophenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(4-chlorophenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(4-chlorophenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide is O=C(Cc1ccc(Cl)cc1)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide?
The InChIKey is KNXVLQFHABMUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O5S/c15-11-3-1-10(2-4-11)9-14(19)16-17-24(22,23)13-7-5-12(6-8-13)18(20)21/h1-8,17H,9H2,(H,16,19).
What are the key properties of 2-(4-chlorophenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide?
2-(4-chlorophenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide has a molecular weight of 369.79 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 1129575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).