4-iodo-N-[4-(methoxymethyl)-2-oxochromen-7-yl]benzenesulfonamide

C17H14INO5S — CID 3863593

IUPAC4-iodo-N-[4-(methoxymethyl)-2-oxochromen-7-yl]benzenesulfonamide
SMILESCOCc1cc(=O)oc2cc(NS(=O)(=O)c3ccc(I)cc3)ccc12
InChIInChI=1S/C17H14INO5S/c1-23-10-11-8-17(20)24-16-9-13(4-7-15(11)16)19-25(21,22)14-5-2-12(18)3-6-14/h2-9,19H,10H2,1H3
InChIKeyYTICLCPWVOOGGV-UHFFFAOYSA-N
MW471.27 g/mol
LogP3.34
Rot. Bonds5

About 4-iodo-N-[4-(methoxymethyl)-2-oxochromen-7-yl]benzenesulfonamide

4-iodo-N-[4-(methoxymethyl)-2-oxochromen-7-yl]benzenesulfonamide (PubChem CID 3863593) has the molecular formula C17H14INO5S and a molecular weight of 471.27 g/mol. Its IUPAC name is 4-iodo-N-[4-(methoxymethyl)-2-oxochromen-7-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-iodo-N-[4-(methoxymethyl)-2-oxochromen-7-yl]benzenesulfonamide
PubChem CID3863593
Molecular FormulaC17H14INO5S
Molecular Weight471.27 g/mol
Exact Mass470.96
IUPAC Name4-iodo-N-[4-(methoxymethyl)-2-oxochromen-7-yl]benzenesulfonamide
SMILESCOCc1cc(=O)oc2cc(NS(=O)(=O)c3ccc(I)cc3)ccc12
InChIInChI=1S/C17H14INO5S/c1-23-10-11-8-17(20)24-16-9-13(4-7-15(11)16)19-25(21,22)14-5-2-12(18)3-6-14/h2-9,19H,10H2,1H3
InChIKeyYTICLCPWVOOGGV-UHFFFAOYSA-N
XLogP3.34
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-iodo-N-[4-(methoxymethyl)-2-oxochromen-7-yl]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

(7-methyl-2-oxochromen-4-yl)methyl 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 3662243
4-chloro-N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide
CID 110734310
7-ethyl-4-(methoxymethyl)chromen-2-one
CID 88901844
7-tert-butyl-4-(methoxymethyl)chromen-2-one
CID 58452098
(7,8-dimethyl-2-oxochromen-4-yl)methyl 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate
CID 2464201
(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 4-(phenylsulfamoyl)benzoate
CID 3977110
2-(7-methyl-2-oxochromen-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 41126634
(7-methyl-2-oxochromen-4-yl)methyl 4-iodobenzoate
CID 2628144
(7-methoxy-2-oxochromen-4-yl)methyl 4-(ethylsulfamoyl)benzoate
CID 7828090
methyl N-cyano-N'-[4-(methoxymethyl)-2-oxochromen-7-yl]carbamimidothioate
CID 169360671
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
methyl 2-(7-hydroxy-2-oxochromen-4-yl)acetate
CID 5395514

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[4-(methoxymethyl)-2-oxochromen-7-yl]benzenesulfonamide?
The IUPAC name of 4-iodo-N-[4-(methoxymethyl)-2-oxochromen-7-yl]benzenesulfonamide (CID 3863593) is 4-iodo-N-[4-(methoxymethyl)-2-oxochromen-7-yl]benzenesulfonamide.
What is the SMILES notation for 4-iodo-N-[4-(methoxymethyl)-2-oxochromen-7-yl]benzenesulfonamide?
The canonical SMILES for 4-iodo-N-[4-(methoxymethyl)-2-oxochromen-7-yl]benzenesulfonamide is COCc1cc(=O)oc2cc(NS(=O)(=O)c3ccc(I)cc3)ccc12.
What is the InChIKey of 4-iodo-N-[4-(methoxymethyl)-2-oxochromen-7-yl]benzenesulfonamide?
The InChIKey is YTICLCPWVOOGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14INO5S/c1-23-10-11-8-17(20)24-16-9-13(4-7-15(11)16)19-25(21,22)14-5-2-12(18)3-6-14/h2-9,19H,10H2,1H3.
What are the key properties of 4-iodo-N-[4-(methoxymethyl)-2-oxochromen-7-yl]benzenesulfonamide?
4-iodo-N-[4-(methoxymethyl)-2-oxochromen-7-yl]benzenesulfonamide has a molecular weight of 471.27 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[4-(methoxymethyl)-2-oxochromen-7-yl]benzenesulfonamide is sourced from PubChem (CID 3863593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).