4-[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]benzenesulfonamide

C14H16N6O3S — CID 153027641

IUPAC4-[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]benzenesulfonamide
SMILESCN1CC(=O)N(C)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc21
InChIInChI=1S/C14H16N6O3S/c1-19-8-12(21)20(2)11-7-16-14(18-13(11)19)17-9-3-5-10(6-4-9)24(15,22)23/h3-7H,8H2,1-2H3,(H2,15,22,23)(H,16,17,18)
InChIKeyVDELEWVDOLMGPI-UHFFFAOYSA-N
MW348.39 g/mol
LogP0.28
Rot. Bonds3

About 4-[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]benzenesulfonamide

4-[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]benzenesulfonamide (PubChem CID 153027641) has the molecular formula C14H16N6O3S and a molecular weight of 348.39 g/mol. Its IUPAC name is 4-[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]benzenesulfonamide
PubChem CID153027641
Molecular FormulaC14H16N6O3S
Molecular Weight348.39 g/mol
Exact Mass348.10
IUPAC Name4-[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]benzenesulfonamide
SMILESCN1CC(=O)N(C)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc21
InChIInChI=1S/C14H16N6O3S/c1-19-8-12(21)20(2)11-7-16-14(18-13(11)19)17-9-3-5-10(6-4-9)24(15,22)23/h3-7H,8H2,1-2H3,(H2,15,22,23)(H,16,17,18)
InChIKeyVDELEWVDOLMGPI-UHFFFAOYSA-N
XLogP0.28
TPSA121.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]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

Acetylsulfadiazine
CID 64952
N4-Acetylsulfamerazine
CID 67181
4-((2-Amino-4-pyrimidinyl)amino)benzenesulfonamide
CID 31036
Ihmt-mst1-58
CID 162477909
4-pyridin-2-yl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 122187640
2-(4-pyridin-2-ylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 20970546
N-phenyl-2-[(phenylsulfonyl)(2-pyridinyl)amino]acetamide
CID 1475365
3-Acetyl-1-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}thiourea
CID 2412823
N-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide
CID 56953735
N-[4-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 56953736
N-[3-[[2-[[6-(dimethylamino)-3-pyridinyl]amino]-5-methylsulfinylpyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 73438272
3-[[(3R)-1,3-dimethyl-4-(1-methylpiperidin-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 87056019

Frequently Asked Questions

What is the IUPAC name of 4-[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]benzenesulfonamide (CID 153027641) is 4-[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]benzenesulfonamide is CN1CC(=O)N(C)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc21.
What is the InChIKey of 4-[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]benzenesulfonamide?
The InChIKey is VDELEWVDOLMGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O3S/c1-19-8-12(21)20(2)11-7-16-14(18-13(11)19)17-9-3-5-10(6-4-9)24(15,22)23/h3-7H,8H2,1-2H3,(H2,15,22,23)(H,16,17,18).
What are the key properties of 4-[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]benzenesulfonamide?
4-[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]benzenesulfonamide has a molecular weight of 348.39 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 153027641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).