4-methyl-N-(2-oxo-5-prop-2-enylchromen-6-yl)benzenesulfonamide

C19H17NO4S — CID 135015154

IUPAC4-methyl-N-(2-oxo-5-prop-2-enylchromen-6-yl)benzenesulfonamide
SMILESC=CCc1c(NS(=O)(=O)c2ccc(C)cc2)ccc2oc(=O)ccc12
InChIInChI=1S/C19H17NO4S/c1-3-4-15-16-9-12-19(21)24-18(16)11-10-17(15)20-25(22,23)14-7-5-13(2)6-8-14/h3,5-12,20H,1,4H2,2H3
InChIKeyVRYUALPFDQGAMX-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.63
Rot. Bonds5

About 4-methyl-N-(2-oxo-5-prop-2-enylchromen-6-yl)benzenesulfonamide

4-methyl-N-(2-oxo-5-prop-2-enylchromen-6-yl)benzenesulfonamide (PubChem CID 135015154) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-methyl-N-(2-oxo-5-prop-2-enylchromen-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-oxo-5-prop-2-enylchromen-6-yl)benzenesulfonamide
PubChem CID135015154
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name4-methyl-N-(2-oxo-5-prop-2-enylchromen-6-yl)benzenesulfonamide
SMILESC=CCc1c(NS(=O)(=O)c2ccc(C)cc2)ccc2oc(=O)ccc12
InChIInChI=1S/C19H17NO4S/c1-3-4-15-16-9-12-19(21)24-18(16)11-10-17(15)20-25(22,23)14-7-5-13(2)6-8-14/h3,5-12,20H,1,4H2,2H3
InChIKeyVRYUALPFDQGAMX-UHFFFAOYSA-N
XLogP3.63
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 10425832
N-(4,7-dimethyl-2-oxochromen-6-yl)-4-methylbenzenesulfonamide;ethane
CID 178026568
N-[2-(benzenesulfonamido)-4,5-dimethyl-3-prop-2-enylphenyl]benzenesulfonamide
CID 101388218
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-(2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-8-yl)-4-methylbenzenesulfonamide
CID 169371037
N-(2-ethenyl-5-methylphenyl)-4-methylbenzenesulfonamide
CID 163208817
2-[(2-oxochromen-6-yl)sulfonylamino]-N-prop-2-enylbenzamide
CID 43053206
2-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)benzamide
CID 11749023
4-but-3-enyl-N-(4-hydroxy-2-oxochromen-6-yl)benzenesulfonamide
CID 166397272
N-[2,2-bis(prop-2-enyl)pent-4-enyl]-4-methylbenzenesulfonamide
CID 156694376
N-[4-chloro-2-(chloromethyl)phenyl]-4-methylbenzenesulfonamide
CID 163288986
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-oxo-5-prop-2-enylchromen-6-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-oxo-5-prop-2-enylchromen-6-yl)benzenesulfonamide (CID 135015154) is 4-methyl-N-(2-oxo-5-prop-2-enylchromen-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-oxo-5-prop-2-enylchromen-6-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-oxo-5-prop-2-enylchromen-6-yl)benzenesulfonamide is C=CCc1c(NS(=O)(=O)c2ccc(C)cc2)ccc2oc(=O)ccc12.
What is the InChIKey of 4-methyl-N-(2-oxo-5-prop-2-enylchromen-6-yl)benzenesulfonamide?
The InChIKey is VRYUALPFDQGAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-3-4-15-16-9-12-19(21)24-18(16)11-10-17(15)20-25(22,23)14-7-5-13(2)6-8-14/h3,5-12,20H,1,4H2,2H3.
What are the key properties of 4-methyl-N-(2-oxo-5-prop-2-enylchromen-6-yl)benzenesulfonamide?
4-methyl-N-(2-oxo-5-prop-2-enylchromen-6-yl)benzenesulfonamide has a molecular weight of 355.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-oxo-5-prop-2-enylchromen-6-yl)benzenesulfonamide is sourced from PubChem (CID 135015154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).