3-chloro-N'-naphthalen-2-ylsulfonylbenzohydrazide

C17H13ClN2O3S — CID 1366624

IUPAC3-chloro-N'-naphthalen-2-ylsulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1
InChIInChI=1S/C17H13ClN2O3S/c18-15-7-3-6-14(10-15)17(21)19-20-24(22,23)16-9-8-12-4-1-2-5-13(12)11-16/h1-11,20H,(H,19,21)
InChIKeyFDAPRYCWYHFAOE-UHFFFAOYSA-N
MW360.82 g/mol
LogP3.12
Rot. Bonds4

About 3-chloro-N'-naphthalen-2-ylsulfonylbenzohydrazide

3-chloro-N'-naphthalen-2-ylsulfonylbenzohydrazide (PubChem CID 1366624) has the molecular formula C17H13ClN2O3S and a molecular weight of 360.82 g/mol. Its IUPAC name is 3-chloro-N'-naphthalen-2-ylsulfonylbenzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-naphthalen-2-ylsulfonylbenzohydrazide
PubChem CID1366624
Molecular FormulaC17H13ClN2O3S
Molecular Weight360.82 g/mol
Exact Mass360.03
IUPAC Name3-chloro-N'-naphthalen-2-ylsulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1
InChIInChI=1S/C17H13ClN2O3S/c18-15-7-3-6-14(10-15)17(21)19-20-24(22,23)16-9-8-12-4-1-2-5-13(12)11-16/h1-11,20H,(H,19,21)
InChIKeyFDAPRYCWYHFAOE-UHFFFAOYSA-N
XLogP3.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-chloro-N'-naphthalen-2-ylsulfonylbenzohydrazide?
The IUPAC name of 3-chloro-N'-naphthalen-2-ylsulfonylbenzohydrazide (CID 1366624) is 3-chloro-N'-naphthalen-2-ylsulfonylbenzohydrazide.
What is the SMILES notation for 3-chloro-N'-naphthalen-2-ylsulfonylbenzohydrazide?
The canonical SMILES for 3-chloro-N'-naphthalen-2-ylsulfonylbenzohydrazide is O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-naphthalen-2-ylsulfonylbenzohydrazide?
The InChIKey is FDAPRYCWYHFAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3S/c18-15-7-3-6-14(10-15)17(21)19-20-24(22,23)16-9-8-12-4-1-2-5-13(12)11-16/h1-11,20H,(H,19,21).
What are the key properties of 3-chloro-N'-naphthalen-2-ylsulfonylbenzohydrazide?
3-chloro-N'-naphthalen-2-ylsulfonylbenzohydrazide has a molecular weight of 360.82 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-naphthalen-2-ylsulfonylbenzohydrazide is sourced from PubChem (CID 1366624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).