2,4-dimethyl-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide

C18H18N2O4S — CID 6621778

IUPAC2,4-dimethyl-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide
SMILESCNc1c(NS(=O)(=O)c2ccc(C)cc2C)c(=O)oc2ccccc12
InChIInChI=1S/C18H18N2O4S/c1-11-8-9-15(12(2)10-11)25(22,23)20-17-16(19-3)13-6-4-5-7-14(13)24-18(17)21/h4-10,19-20H,1-3H3
InChIKeyLFELSLLOFIJQPV-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.25
Rot. Bonds4

About 2,4-dimethyl-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide

2,4-dimethyl-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide (PubChem CID 6621778) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2,4-dimethyl-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide
PubChem CID6621778
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name2,4-dimethyl-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide
SMILESCNc1c(NS(=O)(=O)c2ccc(C)cc2C)c(=O)oc2ccccc12
InChIInChI=1S/C18H18N2O4S/c1-11-8-9-15(12(2)10-11)25(22,23)20-17-16(19-3)13-6-4-5-7-14(13)24-18(17)21/h4-10,19-20H,1-3H3
InChIKeyLFELSLLOFIJQPV-UHFFFAOYSA-N
XLogP3.25
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
CID 50778716
4-bromo-2-methyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
CID 50778841
3,5-dimethyl-N-[2-oxo-4-(propylamino)chromen-3-yl]benzenesulfonamide
CID 50778760
1-[4-(methylamino)-2-oxochromen-3-yl]-3-(2-methylphenyl)urea
CID 39735085
3-(2,4-dimethylphenyl)-4-hydroxychromen-2-one
CID 54676463
2,4-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71859528
N-[4-(methylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide
CID 22433883
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
N-[4-(ethylamino)-2-oxochromen-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 50778788
1-N,5-N-bis(2,4,6-trimethylphenyl)naphthalene-1,5-disulfonamide
CID 25043994
1-[4-(methylamino)-2-oxochromen-3-yl]-3-propylurea
CID 6471719
2,4-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729055

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide (CID 6621778) is 2,4-dimethyl-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide is CNc1c(NS(=O)(=O)c2ccc(C)cc2C)c(=O)oc2ccccc12.
What is the InChIKey of 2,4-dimethyl-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide?
The InChIKey is LFELSLLOFIJQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-11-8-9-15(12(2)10-11)25(22,23)20-17-16(19-3)13-6-4-5-7-14(13)24-18(17)21/h4-10,19-20H,1-3H3.
What are the key properties of 2,4-dimethyl-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide?
2,4-dimethyl-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide is sourced from PubChem (CID 6621778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).