5-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]-2-methylbenzenesulfonamide

C17H18N4O3S — CID 123424084

IUPAC5-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]-2-methylbenzenesulfonamide
SMILESCc1cc2ccn(C)c(=O)c2c(Nc2ccc(C)c(S(N)(=O)=O)c2)n1
InChIInChI=1S/C17H18N4O3S/c1-10-4-5-13(9-14(10)25(18,23)24)20-16-15-12(8-11(2)19-16)6-7-21(3)17(15)22/h4-9H,1-3H3,(H,19,20)(H2,18,23,24)
InChIKeyMYMXGQINVIZCFT-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.94
Rot. Bonds3

About 5-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]-2-methylbenzenesulfonamide

5-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]-2-methylbenzenesulfonamide (PubChem CID 123424084) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]-2-methylbenzenesulfonamide
PubChem CID123424084
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name5-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]-2-methylbenzenesulfonamide
SMILESCc1cc2ccn(C)c(=O)c2c(Nc2ccc(C)c(S(N)(=O)=O)c2)n1
InChIInChI=1S/C17H18N4O3S/c1-10-4-5-13(9-14(10)25(18,23)24)20-16-15-12(8-11(2)19-16)6-7-21(3)17(15)22/h4-9H,1-3H3,(H,19,20)(H2,18,23,24)
InChIKeyMYMXGQINVIZCFT-UHFFFAOYSA-N
XLogP1.94
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]benzamide
CID 123849295
2-methyl-5-[[5-methyl-4-[(2,2,4-trimethyl-3-oxo-1,4-benzothiazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 67047726
2-methyl-5-[[5-methyl-4-[[1-(3-methylsulfanylpropyl)indazol-5-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 67047012
2-methyl-5-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 43663260
2-(3-chloro-4-methylanilino)pyridine-3-sulfonamide
CID 53151390
5-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-2-methylbenzenesulfonamide
CID 87055030
3-indol-1-yl-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9257089
2-methyl-5-[[5-methyl-2-(4-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]benzenesulfonamide
CID 25070977
5-[[5-fluoro-4-(1H-indol-5-ylamino)pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 67047589
2-methyl-5-(4-methylsulfanylbutylamino)benzenesulfonamide
CID 103087246
5-amino-3-(3,4-dimethylanilino)-2-methylbenzenesulfonamide
CID 79899530
2-methyl-5-(pentylamino)benzenesulfonamide
CID 28653503

Frequently Asked Questions

What is the IUPAC name of 5-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]-2-methylbenzenesulfonamide?
The IUPAC name of 5-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]-2-methylbenzenesulfonamide (CID 123424084) is 5-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]-2-methylbenzenesulfonamide is Cc1cc2ccn(C)c(=O)c2c(Nc2ccc(C)c(S(N)(=O)=O)c2)n1.
What is the InChIKey of 5-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]-2-methylbenzenesulfonamide?
The InChIKey is MYMXGQINVIZCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-10-4-5-13(9-14(10)25(18,23)24)20-16-15-12(8-11(2)19-16)6-7-21(3)17(15)22/h4-9H,1-3H3,(H,19,20)(H2,18,23,24).
What are the key properties of 5-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]-2-methylbenzenesulfonamide?
5-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]-2-methylbenzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]-2-methylbenzenesulfonamide is sourced from PubChem (CID 123424084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).