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

C17H12ClNO3S — CID 3583946

IUPAC4-chloro-3-methyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N=C2C=CC(=O)c3ccccc32)ccc1Cl
InChIInChI=1S/C17H12ClNO3S/c1-11-10-12(6-7-15(11)18)23(21,22)19-16-8-9-17(20)14-5-3-2-4-13(14)16/h2-10H,1H3
InChIKeyRUHWFFFBVDXWCY-UHFFFAOYSA-N
MW345.81 g/mol
LogP3.58
Rot. Bonds2

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

4-chloro-3-methyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide (PubChem CID 3583946) has the molecular formula C17H12ClNO3S and a molecular weight of 345.81 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-methyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
PubChem CID3583946
Molecular FormulaC17H12ClNO3S
Molecular Weight345.81 g/mol
Exact Mass345.02
IUPAC Name4-chloro-3-methyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N=C2C=CC(=O)c3ccccc32)ccc1Cl
InChIInChI=1S/C17H12ClNO3S/c1-11-10-12(6-7-15(11)18)23(21,22)19-16-8-9-17(20)14-5-3-2-4-13(14)16/h2-10H,1H3
InChIKeyRUHWFFFBVDXWCY-UHFFFAOYSA-N
XLogP3.58
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', '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-3-methyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
The IUPAC name of 4-chloro-3-methyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide (CID 3583946) is 4-chloro-3-methyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-methyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-methyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide is Cc1cc(S(=O)(=O)N=C2C=CC(=O)c3ccccc32)ccc1Cl.
What is the InChIKey of 4-chloro-3-methyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
The InChIKey is RUHWFFFBVDXWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO3S/c1-11-10-12(6-7-15(11)18)23(21,22)19-16-8-9-17(20)14-5-3-2-4-13(14)16/h2-10H,1H3.
What are the key properties of 4-chloro-3-methyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
4-chloro-3-methyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide has a molecular weight of 345.81 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide is sourced from PubChem (CID 3583946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).