2-chloro-4-methoxy-N-(oxomethylidene)benzenesulfonamide

C8H6ClNO4S — CID 165349722

IUPAC2-chloro-4-methoxy-N-(oxomethylidene)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N=C=O)c(Cl)c1
InChIInChI=1S/C8H6ClNO4S/c1-14-6-2-3-8(7(9)4-6)15(12,13)10-5-11/h2-4H,1H3
InChIKeyOASNLANDGCEJRM-UHFFFAOYSA-N
MW247.66 g/mol
LogP1.37
Rot. Bonds3

About 2-chloro-4-methoxy-N-(oxomethylidene)benzenesulfonamide

2-chloro-4-methoxy-N-(oxomethylidene)benzenesulfonamide (PubChem CID 165349722) has the molecular formula C8H6ClNO4S and a molecular weight of 247.66 g/mol. Its IUPAC name is 2-chloro-4-methoxy-N-(oxomethylidene)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-methoxy-N-(oxomethylidene)benzenesulfonamide
PubChem CID165349722
Molecular FormulaC8H6ClNO4S
Molecular Weight247.66 g/mol
Exact Mass246.97
IUPAC Name2-chloro-4-methoxy-N-(oxomethylidene)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N=C=O)c(Cl)c1
InChIInChI=1S/C8H6ClNO4S/c1-14-6-2-3-8(7(9)4-6)15(12,13)10-5-11/h2-4H,1H3
InChIKeyOASNLANDGCEJRM-UHFFFAOYSA-N
XLogP1.37
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.66
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Analyze 2-chloro-4-methoxy-N-(oxomethylidene)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-2,6-dimethyl-N-(oxomethylidene)benzenesulfonamide
CID 114770673
2-chloro-4-hydroxy-N,N-dimethylbenzenesulfonamide;2-chloro-4-methoxy-N,N-dimethylbenzenesulfonamide
CID 160787118
2,4-dichloro-3-fluoro-N-(oxomethylidene)benzenesulfonamide
CID 103089955
2-isocyanato-4-methoxybenzenesulfonamide
CID 141019854
N-butyl-2-chloro-4-methoxybenzenesulfonamide
CID 110758761
sodium 2-chloro-4-methoxyphenolate
CID 23710122
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 110758794
2-chloro-4-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110758795
2-chloro-N-(cyanomethyl)-5-methoxy-N-methylbenzenesulfonamide
CID 75505544
2-chloro-4-methoxy-1-methylbenzene
CID 6951757
(4-methoxyphenyl) 2-chloro-4-fluorobenzenesulfonate
CID 47154507
(4-methoxyphenyl) 4-bromo-2-chlorobenzenesulfonate
CID 30325304

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-N-(oxomethylidene)benzenesulfonamide?
The IUPAC name of 2-chloro-4-methoxy-N-(oxomethylidene)benzenesulfonamide (CID 165349722) is 2-chloro-4-methoxy-N-(oxomethylidene)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-methoxy-N-(oxomethylidene)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-methoxy-N-(oxomethylidene)benzenesulfonamide is COc1ccc(S(=O)(=O)N=C=O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methoxy-N-(oxomethylidene)benzenesulfonamide?
The InChIKey is OASNLANDGCEJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO4S/c1-14-6-2-3-8(7(9)4-6)15(12,13)10-5-11/h2-4H,1H3.
What are the key properties of 2-chloro-4-methoxy-N-(oxomethylidene)benzenesulfonamide?
2-chloro-4-methoxy-N-(oxomethylidene)benzenesulfonamide has a molecular weight of 247.66 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-N-(oxomethylidene)benzenesulfonamide is sourced from PubChem (CID 165349722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).