N-[4-(6,7-dimethoxy-2-oxochromene-3-carbonyl)phenyl]benzenesulfonamide

C24H19NO7S — CID 45276631

IUPACN-[4-(6,7-dimethoxy-2-oxochromene-3-carbonyl)phenyl]benzenesulfonamide
SMILESCOc1cc2cc(C(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)c(=O)oc2cc1OC
InChIInChI=1S/C24H19NO7S/c1-30-21-13-16-12-19(24(27)32-20(16)14-22(21)31-2)23(26)15-8-10-17(11-9-15)25-33(28,29)18-6-4-3-5-7-18/h3-14,25H,1-2H3
InChIKeyWKTVOGOVFGNXGZ-UHFFFAOYSA-N
MW465.48 g/mol
LogP3.84
Rot. Bonds7

About N-[4-(6,7-dimethoxy-2-oxochromene-3-carbonyl)phenyl]benzenesulfonamide

N-[4-(6,7-dimethoxy-2-oxochromene-3-carbonyl)phenyl]benzenesulfonamide (PubChem CID 45276631) has the molecular formula C24H19NO7S and a molecular weight of 465.48 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxy-2-oxochromene-3-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxy-2-oxochromene-3-carbonyl)phenyl]benzenesulfonamide
PubChem CID45276631
Molecular FormulaC24H19NO7S
Molecular Weight465.48 g/mol
Exact Mass465.09
IUPAC NameN-[4-(6,7-dimethoxy-2-oxochromene-3-carbonyl)phenyl]benzenesulfonamide
SMILESCOc1cc2cc(C(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)c(=O)oc2cc1OC
InChIInChI=1S/C24H19NO7S/c1-30-21-13-16-12-19(24(27)32-20(16)14-22(21)31-2)23(26)15-8-10-17(11-9-15)25-33(28,29)18-6-4-3-5-7-18/h3-14,25H,1-2H3
InChIKeyWKTVOGOVFGNXGZ-UHFFFAOYSA-N
XLogP3.84
TPSA111.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-(6,7-dimethoxy-2-oxochromene-3-carbonyl)phenyl]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

N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
CID 1034649
N-[4-(7-hydroxy-2-oxochromene-3-carbonyl)phenyl]thiophene-2-sulfonamide
CID 71509532
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 90786253
N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-oxochromene-3-carboxamide
CID 3290288
7-hydroxy-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 156695952
4-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 2982933
4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 121043668
N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
CID 21205051
N-[4-bromo-3-(8-bromo-2-oxochromene-3-carbonyl)phenyl]benzenesulfonamide
CID 141187416
4-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide
CID 38009998
4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415575
3-methoxy-4-(phenylsulfamoyl)benzoic acid
CID 102694630

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxy-2-oxochromene-3-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(6,7-dimethoxy-2-oxochromene-3-carbonyl)phenyl]benzenesulfonamide (CID 45276631) is N-[4-(6,7-dimethoxy-2-oxochromene-3-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(6,7-dimethoxy-2-oxochromene-3-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(6,7-dimethoxy-2-oxochromene-3-carbonyl)phenyl]benzenesulfonamide is COc1cc2cc(C(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)c(=O)oc2cc1OC.
What is the InChIKey of N-[4-(6,7-dimethoxy-2-oxochromene-3-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is WKTVOGOVFGNXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO7S/c1-30-21-13-16-12-19(24(27)32-20(16)14-22(21)31-2)23(26)15-8-10-17(11-9-15)25-33(28,29)18-6-4-3-5-7-18/h3-14,25H,1-2H3.
What are the key properties of N-[4-(6,7-dimethoxy-2-oxochromene-3-carbonyl)phenyl]benzenesulfonamide?
N-[4-(6,7-dimethoxy-2-oxochromene-3-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 465.48 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxy-2-oxochromene-3-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 45276631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).