4-chloro-N-(3-chloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide

C16H9Cl2NO3S — CID 1381625

IUPAC4-chloro-N-(3-chloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide
SMILESO=C1C(Cl)=CC(=NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C16H9Cl2NO3S/c17-10-5-7-11(8-6-10)23(21,22)19-15-9-14(18)16(20)13-4-2-1-3-12(13)15/h1-9H
InChIKeyLXVBTGUJNQBBFO-UHFFFAOYSA-N
MW366.23 g/mol
LogP3.84
Rot. Bonds2

About 4-chloro-N-(3-chloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide

4-chloro-N-(3-chloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide (PubChem CID 1381625) has the molecular formula C16H9Cl2NO3S and a molecular weight of 366.23 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide
PubChem CID1381625
Molecular FormulaC16H9Cl2NO3S
Molecular Weight366.23 g/mol
Exact Mass364.97
IUPAC Name4-chloro-N-(3-chloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide
SMILESO=C1C(Cl)=CC(=NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C16H9Cl2NO3S/c17-10-5-7-11(8-6-10)23(21,22)19-15-9-14(18)16(20)13-4-2-1-3-12(13)15/h1-9H
InChIKeyLXVBTGUJNQBBFO-UHFFFAOYSA-N
XLogP3.84
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-chloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide (CID 1381625) is 4-chloro-N-(3-chloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-chloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-chloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide is O=C1C(Cl)=CC(=NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 4-chloro-N-(3-chloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide?
The InChIKey is LXVBTGUJNQBBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2NO3S/c17-10-5-7-11(8-6-10)23(21,22)19-15-9-14(18)16(20)13-4-2-1-3-12(13)15/h1-9H.
What are the key properties of 4-chloro-N-(3-chloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide?
4-chloro-N-(3-chloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide has a molecular weight of 366.23 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide is sourced from PubChem (CID 1381625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).