7-methoxy-1-oxo-N-pyrimidin-5-yl-2,3,4,5-tetrahydro-2-benzazepine-8-sulfonamide

C15H16N4O4S — CID 166242120

IUPAC7-methoxy-1-oxo-N-pyrimidin-5-yl-2,3,4,5-tetrahydro-2-benzazepine-8-sulfonamide
SMILESCOc1cc2c(cc1S(=O)(=O)Nc1cncnc1)C(=O)NCCC2
InChIInChI=1S/C15H16N4O4S/c1-23-13-5-10-3-2-4-18-15(20)12(10)6-14(13)24(21,22)19-11-7-16-9-17-8-11/h5-9,19H,2-4H2,1H3,(H,18,20)
InChIKeyWOWNZUUEPIJSPR-UHFFFAOYSA-N
MW348.38 g/mol
LogP0.96
Rot. Bonds4

About 7-methoxy-1-oxo-N-pyrimidin-5-yl-2,3,4,5-tetrahydro-2-benzazepine-8-sulfonamide

7-methoxy-1-oxo-N-pyrimidin-5-yl-2,3,4,5-tetrahydro-2-benzazepine-8-sulfonamide (PubChem CID 166242120) has the molecular formula C15H16N4O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is 7-methoxy-1-oxo-N-pyrimidin-5-yl-2,3,4,5-tetrahydro-2-benzazepine-8-sulfonamide.

Molecular Properties

Compound Name7-methoxy-1-oxo-N-pyrimidin-5-yl-2,3,4,5-tetrahydro-2-benzazepine-8-sulfonamide
PubChem CID166242120
Molecular FormulaC15H16N4O4S
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name7-methoxy-1-oxo-N-pyrimidin-5-yl-2,3,4,5-tetrahydro-2-benzazepine-8-sulfonamide
SMILESCOc1cc2c(cc1S(=O)(=O)Nc1cncnc1)C(=O)NCCC2
InChIInChI=1S/C15H16N4O4S/c1-23-13-5-10-3-2-4-18-15(20)12(10)6-14(13)24(21,22)19-11-7-16-9-17-8-11/h5-9,19H,2-4H2,1H3,(H,18,20)
InChIKeyWOWNZUUEPIJSPR-UHFFFAOYSA-N
XLogP0.96
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-methoxy-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587489
5-amino-2-methoxy-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587497
7-butoxy-8-methoxy-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 70849664
2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 6472703
N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 167882461
3-methoxy-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonyl chloride
CID 43118917
3-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100745693
3-methoxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100575412
2-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide
CID 177299347
16,18-dimethoxy-4,8,12-triazatricyclo[13.2.2.16,10]icosa-1(17),6(20),7,9,15,18-hexaene-5,11-dione
CID 5251439
3,4-dimethoxy-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide
CID 90625591
8-[amino-(3-methoxythiophen-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525588

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-oxo-N-pyrimidin-5-yl-2,3,4,5-tetrahydro-2-benzazepine-8-sulfonamide?
The IUPAC name of 7-methoxy-1-oxo-N-pyrimidin-5-yl-2,3,4,5-tetrahydro-2-benzazepine-8-sulfonamide (CID 166242120) is 7-methoxy-1-oxo-N-pyrimidin-5-yl-2,3,4,5-tetrahydro-2-benzazepine-8-sulfonamide.
What is the SMILES notation for 7-methoxy-1-oxo-N-pyrimidin-5-yl-2,3,4,5-tetrahydro-2-benzazepine-8-sulfonamide?
The canonical SMILES for 7-methoxy-1-oxo-N-pyrimidin-5-yl-2,3,4,5-tetrahydro-2-benzazepine-8-sulfonamide is COc1cc2c(cc1S(=O)(=O)Nc1cncnc1)C(=O)NCCC2.
What is the InChIKey of 7-methoxy-1-oxo-N-pyrimidin-5-yl-2,3,4,5-tetrahydro-2-benzazepine-8-sulfonamide?
The InChIKey is WOWNZUUEPIJSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4S/c1-23-13-5-10-3-2-4-18-15(20)12(10)6-14(13)24(21,22)19-11-7-16-9-17-8-11/h5-9,19H,2-4H2,1H3,(H,18,20).
What are the key properties of 7-methoxy-1-oxo-N-pyrimidin-5-yl-2,3,4,5-tetrahydro-2-benzazepine-8-sulfonamide?
7-methoxy-1-oxo-N-pyrimidin-5-yl-2,3,4,5-tetrahydro-2-benzazepine-8-sulfonamide has a molecular weight of 348.38 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-oxo-N-pyrimidin-5-yl-2,3,4,5-tetrahydro-2-benzazepine-8-sulfonamide is sourced from PubChem (CID 166242120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).