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

C16H10ClNO3S — CID 754022

IUPAC4-chloro-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
SMILESO=C1C=CC(=NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C16H10ClNO3S/c17-11-5-7-12(8-6-11)22(20,21)18-15-9-10-16(19)14-4-2-1-3-13(14)15/h1-10H
InChIKeyYMBSGIVUXBFWET-UHFFFAOYSA-N
MW331.78 g/mol
LogP3.27
Rot. Bonds2

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

4-chloro-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide (PubChem CID 754022) has the molecular formula C16H10ClNO3S and a molecular weight of 331.78 g/mol. Its IUPAC name is 4-chloro-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
PubChem CID754022
Molecular FormulaC16H10ClNO3S
Molecular Weight331.78 g/mol
Exact Mass331.01
IUPAC Name4-chloro-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
SMILESO=C1C=CC(=NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C16H10ClNO3S/c17-11-5-7-12(8-6-11)22(20,21)18-15-9-10-16(19)14-4-2-1-3-13(14)15/h1-10H
InChIKeyYMBSGIVUXBFWET-UHFFFAOYSA-N
XLogP3.27
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 53.27
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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Related Compounds

N-(4-oxo-1(4H)-naphthalenylidene)benzenesulfonamide
CID 247699
4-fluoro-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
CID 746355
CID 3327796
CID 3327796
CID 3583948
CID 3583948
4-ethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
CID 9664612
2,5-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
CID 746350
4-t-butyl-N-(4-oxonaphthalen-1(4h)-ylidene)benzene-1-sulfonamide
CID 1359191
4-chloro-3-methyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
CID 3583946
[(Z)-3-chloro-4-oxo-1,4-dihydro-1-naphthylideneamino](oxo)-2,5-xylyl-lambda-sulfaniumolate
CID 4256484
(E)-4-fluoro-N-(4-oxonaphthalen-1(4H)-ylidene)benzenesulfonamide
CID 9601197
4-isopropyl-N-[(1Z)-4-oxonaphthalen-1(4H)-ylidene]benzenesulfonamide
CID 5867472
4-chloro-N-(3-chloro-4-oxonaphthalen-1(4H)-ylidene)benzenesulfonamide
CID 1381625

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide (CID 754022) is 4-chloro-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide is O=C1C=CC(=NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 4-chloro-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
The InChIKey is YMBSGIVUXBFWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO3S/c17-11-5-7-12(8-6-11)22(20,21)18-15-9-10-16(19)14-4-2-1-3-13(14)15/h1-10H.
What are the key properties of 4-chloro-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
4-chloro-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide has a molecular weight of 331.78 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide is sourced from PubChem (CID 754022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).