7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-amine

C19H18N4O2S — CID 130249292

IUPAC7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-amine
SMILESCc1ccc(S(=O)(=O)N2CCc3cnc(N)nc3-c3ccccc32)cc1
InChIInChI=1S/C19H18N4O2S/c1-13-6-8-15(9-7-13)26(24,25)23-11-10-14-12-21-19(20)22-18(14)16-4-2-3-5-17(16)23/h2-9,12H,10-11H2,1H3,(H2,20,21,22)
InChIKeyIFZJMYKZKYULAP-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.79
Rot. Bonds2

About 7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-amine

7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-amine (PubChem CID 130249292) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-amine.

Molecular Properties

Compound Name7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-amine
PubChem CID130249292
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-amine
SMILESCc1ccc(S(=O)(=O)N2CCc3cnc(N)nc3-c3ccccc32)cc1
InChIInChI=1S/C19H18N4O2S/c1-13-6-8-15(9-7-13)26(24,25)23-11-10-14-12-21-19(20)22-18(14)16-4-2-3-5-17(16)23/h2-9,12H,10-11H2,1H3,(H2,20,21,22)
InChIKeyIFZJMYKZKYULAP-UHFFFAOYSA-N
XLogP2.79
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-imine
CID 10520340
2-(4-methylphenyl)sulfonyl-3,4-dihydroisoquinolin-1-one
CID 11472135
(4Z)-4-(hydroxymethylidene)-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-5-one
CID 44723400
1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-6,1-benzoxazonin-7-one
CID 102529621
(4E)-4-(dimethylaminomethylidene)-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-5-one
CID 130249167
ethyl (2E)-2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-ylidene]acetate
CID 102098728
7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,6-naphthyridine
CID 134999699
1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
CID 110713907
5-(4-methylphenyl)sulfonyl-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylic acid
CID 68974373
1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol
CID 10779793
1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole
CID 110454424
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-amine?
The IUPAC name of 7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-amine (CID 130249292) is 7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-amine.
What is the SMILES notation for 7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-amine?
The canonical SMILES for 7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-amine is Cc1ccc(S(=O)(=O)N2CCc3cnc(N)nc3-c3ccccc32)cc1.
What is the InChIKey of 7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-amine?
The InChIKey is IFZJMYKZKYULAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-13-6-8-15(9-7-13)26(24,25)23-11-10-14-12-21-19(20)22-18(14)16-4-2-3-5-17(16)23/h2-9,12H,10-11H2,1H3,(H2,20,21,22).
What are the key properties of 7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-amine?
7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-amine has a molecular weight of 366.45 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-amine is sourced from PubChem (CID 130249292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).