6-[[4-(2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-2,3-dihydroindole-1-sulfonamide

C18H18N6O3S — CID 53492201

IUPAC6-[[4-(2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-2,3-dihydroindole-1-sulfonamide
SMILESCOc1ccccc1-c1ncnc(Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)n1
InChIInChI=1S/C18H18N6O3S/c1-27-16-5-3-2-4-14(16)17-20-11-21-18(23-17)22-13-7-6-12-8-9-24(15(12)10-13)28(19,25)26/h2-7,10-11H,8-9H2,1H3,(H2,19,25,26)(H,20,21,22,23)
InChIKeyORTYIRWGZPIOFT-UHFFFAOYSA-N
MW398.45 g/mol
LogP1.86
Rot. Bonds5

About 6-[[4-(2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-2,3-dihydroindole-1-sulfonamide

6-[[4-(2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-2,3-dihydroindole-1-sulfonamide (PubChem CID 53492201) has the molecular formula C18H18N6O3S and a molecular weight of 398.45 g/mol. Its IUPAC name is 6-[[4-(2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-2,3-dihydroindole-1-sulfonamide.

Molecular Properties

Compound Name6-[[4-(2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-2,3-dihydroindole-1-sulfonamide
PubChem CID53492201
Molecular FormulaC18H18N6O3S
Molecular Weight398.45 g/mol
Exact Mass398.12
IUPAC Name6-[[4-(2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-2,3-dihydroindole-1-sulfonamide
SMILESCOc1ccccc1-c1ncnc(Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)n1
InChIInChI=1S/C18H18N6O3S/c1-27-16-5-3-2-4-14(16)17-20-11-21-18(23-17)22-13-7-6-12-8-9-24(15(12)10-13)28(19,25)26/h2-7,10-11H,8-9H2,1H3,(H2,19,25,26)(H,20,21,22,23)
InChIKeyORTYIRWGZPIOFT-UHFFFAOYSA-N
XLogP1.86
TPSA123.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,3-dihydroindole-1-sulfonamide
CID 86679829
[3-[[4-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
CID 53491929
N-[3-[(amino-methylidene-oxo-λ6-sulfanyl)methyl]phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine
CID 163635741
N-[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methyl-3,4-dihydro-2H-quinolin-7-amine
CID 66712095
N-[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methyl-3,4-dihydro-2H-quinolin-7-amine;[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl] trifluoromethanesulfonate
CID 87399754
4-(4-fluoro-2-methoxyphenyl)-N-[3-(propan-2-ylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine
CID 66576515
N-[3-(tert-butylsulfonylmethyl)phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine
CID 66576431
[3-[[4-[2-(methoxymethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
CID 53492133
4-(4-fluoro-2-methoxyphenyl)-N-[3-fluoro-5-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine
CID 66576285
4-[2-[(4-fluorophenyl)methoxy]phenyl]-N-[3-(propan-2-ylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine
CID 66576676
4-amino-3-(2-methoxyphenyl)-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimido[4,5-d]pyrimidin-2-one
CID 58289867
[3-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methanesulfonamide
CID 25022388

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-2,3-dihydroindole-1-sulfonamide?
The IUPAC name of 6-[[4-(2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-2,3-dihydroindole-1-sulfonamide (CID 53492201) is 6-[[4-(2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-2,3-dihydroindole-1-sulfonamide.
What is the SMILES notation for 6-[[4-(2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-2,3-dihydroindole-1-sulfonamide?
The canonical SMILES for 6-[[4-(2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-2,3-dihydroindole-1-sulfonamide is COc1ccccc1-c1ncnc(Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)n1.
What is the InChIKey of 6-[[4-(2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-2,3-dihydroindole-1-sulfonamide?
The InChIKey is ORTYIRWGZPIOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3S/c1-27-16-5-3-2-4-14(16)17-20-11-21-18(23-17)22-13-7-6-12-8-9-24(15(12)10-13)28(19,25)26/h2-7,10-11H,8-9H2,1H3,(H2,19,25,26)(H,20,21,22,23).
What are the key properties of 6-[[4-(2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-2,3-dihydroindole-1-sulfonamide?
6-[[4-(2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-2,3-dihydroindole-1-sulfonamide has a molecular weight of 398.45 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-2,3-dihydroindole-1-sulfonamide is sourced from PubChem (CID 53492201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).