N-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-4-methylbenzenesulfonamide

C19H19NO5S — CID 102381034

IUPACN-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-4-methylbenzenesulfonamide
SMILESCOc1ccc2c(C)c(NS(=O)(=O)c3ccc(C)cc3)c(=O)oc2c1C
InChIInChI=1S/C19H19NO5S/c1-11-5-7-14(8-6-11)26(22,23)20-17-12(2)15-9-10-16(24-4)13(3)18(15)25-19(17)21/h5-10,20H,1-4H3
InChIKeyJPWSDFIWTSUAJK-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.53
Rot. Bonds4

About N-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-4-methylbenzenesulfonamide

N-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-4-methylbenzenesulfonamide (PubChem CID 102381034) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-4-methylbenzenesulfonamide
PubChem CID102381034
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC NameN-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-4-methylbenzenesulfonamide
SMILESCOc1ccc2c(C)c(NS(=O)(=O)c3ccc(C)cc3)c(=O)oc2c1C
InChIInChI=1S/C19H19NO5S/c1-11-5-7-14(8-6-11)26(22,23)20-17-12(2)15-9-10-16(24-4)13(3)18(15)25-19(17)21/h5-10,20H,1-4H3
InChIKeyJPWSDFIWTSUAJK-UHFFFAOYSA-N
XLogP3.53
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-methylbenzo[c]chromen-6-one
CID 681437
4-methyl-N-(2,4,6-trimethoxyphenyl)benzenesulfonamide
CID 110778552
(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) 2-[(4-methylphenyl)sulfonylamino]propanoate
CID 3777861
methyl 2,4-dimethoxy-3-[(4-methylphenyl)sulfonylamino]benzoate
CID 139249633
(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
CID 3848957
4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide
CID 1101866
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 4899443
(4-methyl-6-oxobenzo[c]chromen-3-yl) 2-[(4-methylphenyl)sulfonylamino]hexanoate
CID 3803487
7-methoxy-3-[2-(4-methoxyphenyl)ethynyl]-4,8-dimethylchromen-2-one
CID 23730620

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-4-methylbenzenesulfonamide (CID 102381034) is N-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-4-methylbenzenesulfonamide is COc1ccc2c(C)c(NS(=O)(=O)c3ccc(C)cc3)c(=O)oc2c1C.
What is the InChIKey of N-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-4-methylbenzenesulfonamide?
The InChIKey is JPWSDFIWTSUAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-11-5-7-14(8-6-11)26(22,23)20-17-12(2)15-9-10-16(24-4)13(3)18(15)25-19(17)21/h5-10,20H,1-4H3.
What are the key properties of N-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-4-methylbenzenesulfonamide?
N-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-4-methylbenzenesulfonamide has a molecular weight of 373.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 102381034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).