1-methyl-N-(6-methyl-2-pyridinyl)-2-oxo-4,5-dihydro-3H-1-benzazepine-7-sulfonamide

C17H19N3O3S — CID 119055282

IUPAC1-methyl-N-(6-methyl-2-pyridinyl)-2-oxo-4,5-dihydro-3H-1-benzazepine-7-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3C)n1
InChIInChI=1S/C17H19N3O3S/c1-12-5-3-7-16(18-12)19-24(22,23)14-9-10-15-13(11-14)6-4-8-17(21)20(15)2/h3,5,7,9-11H,4,6,8H2,1-2H3,(H,18,19)
InChIKeyPDRSSNZITVCELU-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.49
Rot. Bonds3

About 1-methyl-N-(6-methyl-2-pyridinyl)-2-oxo-4,5-dihydro-3H-1-benzazepine-7-sulfonamide

1-methyl-N-(6-methyl-2-pyridinyl)-2-oxo-4,5-dihydro-3H-1-benzazepine-7-sulfonamide (PubChem CID 119055282) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-methyl-N-(6-methyl-2-pyridinyl)-2-oxo-4,5-dihydro-3H-1-benzazepine-7-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(6-methyl-2-pyridinyl)-2-oxo-4,5-dihydro-3H-1-benzazepine-7-sulfonamide
PubChem CID119055282
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1-methyl-N-(6-methyl-2-pyridinyl)-2-oxo-4,5-dihydro-3H-1-benzazepine-7-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3C)n1
InChIInChI=1S/C17H19N3O3S/c1-12-5-3-7-16(18-12)19-24(22,23)14-9-10-15-13(11-14)6-4-8-17(21)20(15)2/h3,5,7,9-11H,4,6,8H2,1-2H3,(H,18,19)
InChIKeyPDRSSNZITVCELU-UHFFFAOYSA-N
XLogP2.49
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-(6-methyl-2-pyridinyl)-2-oxo-4,5-dihydro-3H-1-benzazepine-7-sulfonamide with MolForge

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Related Compounds

N-(6-methyl-2-pyridinyl)-1,3-dihydro-2-benzofuran-5-sulfonamide
CID 84584191
N-(2,6-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383268
1-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydroquinoline-6-sulfonamide
CID 110383213
1-methyl-N-(2-methyl-1,3-benzoxazol-7-yl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110417873
N-(3-chlorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383219
N-(2-chlorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383218
N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417411
1-methyl-2-oxo-N-quinolin-8-yl-3H-indole-5-sulfonamide
CID 17498186
1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide
CID 110756701
N-(3,4-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383269
4-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 3857714
2-hydroxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 29285613

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(6-methyl-2-pyridinyl)-2-oxo-4,5-dihydro-3H-1-benzazepine-7-sulfonamide?
The IUPAC name of 1-methyl-N-(6-methyl-2-pyridinyl)-2-oxo-4,5-dihydro-3H-1-benzazepine-7-sulfonamide (CID 119055282) is 1-methyl-N-(6-methyl-2-pyridinyl)-2-oxo-4,5-dihydro-3H-1-benzazepine-7-sulfonamide.
What is the SMILES notation for 1-methyl-N-(6-methyl-2-pyridinyl)-2-oxo-4,5-dihydro-3H-1-benzazepine-7-sulfonamide?
The canonical SMILES for 1-methyl-N-(6-methyl-2-pyridinyl)-2-oxo-4,5-dihydro-3H-1-benzazepine-7-sulfonamide is Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3C)n1.
What is the InChIKey of 1-methyl-N-(6-methyl-2-pyridinyl)-2-oxo-4,5-dihydro-3H-1-benzazepine-7-sulfonamide?
The InChIKey is PDRSSNZITVCELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-12-5-3-7-16(18-12)19-24(22,23)14-9-10-15-13(11-14)6-4-8-17(21)20(15)2/h3,5,7,9-11H,4,6,8H2,1-2H3,(H,18,19).
What are the key properties of 1-methyl-N-(6-methyl-2-pyridinyl)-2-oxo-4,5-dihydro-3H-1-benzazepine-7-sulfonamide?
1-methyl-N-(6-methyl-2-pyridinyl)-2-oxo-4,5-dihydro-3H-1-benzazepine-7-sulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(6-methyl-2-pyridinyl)-2-oxo-4,5-dihydro-3H-1-benzazepine-7-sulfonamide is sourced from PubChem (CID 119055282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).