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

C16H17N3O3S — CID 119055169

IUPACN-(4-methyl-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1
InChIInChI=1S/C16H17N3O3S/c1-11-7-8-17-15(9-11)19-23(21,22)13-5-6-14-12(10-13)3-2-4-16(20)18-14/h5-10H,2-4H2,1H3,(H,17,19)(H,18,20)
InChIKeyPPUMAEMCGYOHQY-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.47
Rot. Bonds3

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

N-(4-methyl-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide (PubChem CID 119055169) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
PubChem CID119055169
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-(4-methyl-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1
InChIInChI=1S/C16H17N3O3S/c1-11-7-8-17-15(9-11)19-23(21,22)13-5-6-14-12(10-13)3-2-4-16(20)18-14/h5-10H,2-4H2,1H3,(H,17,19)(H,18,20)
InChIKeyPPUMAEMCGYOHQY-UHFFFAOYSA-N
XLogP2.47
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(4-methyl-2-pyridinyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 43119948
N-(2,6-dimethylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927828
4,4-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 75361115
N-(4-chloro-2-pyridinyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 115687703
N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 127279830
N-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927826
2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106789
N-(3,5-dimethoxyphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927827
N-(2-cyclopropylpyrimidin-5-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 166190507
2-oxo-N-pyridin-2-yl-1,3-dihydroindole-5-sulfonamide
CID 110756782
(2R)-2-methyl-N-(4-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 25301090
1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide
CID 35141950

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide (CID 119055169) is N-(4-methyl-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide is Cc1ccnc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The InChIKey is PPUMAEMCGYOHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11-7-8-17-15(9-11)19-23(21,22)13-5-6-14-12(10-13)3-2-4-16(20)18-14/h5-10H,2-4H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-methyl-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
N-(4-methyl-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide is sourced from PubChem (CID 119055169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).