6-morpholin-4-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyridine-3-sulfonamide

C19H24N4O3S — CID 46882623

IUPAC6-morpholin-4-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCNCC2)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C19H24N4O3S/c24-27(25,18-3-4-19(21-14-18)23-9-11-26-12-10-23)22-17-2-1-15-5-7-20-8-6-16(15)13-17/h1-4,13-14,20,22H,5-12H2
InChIKeyWNSXZWVIMFBNRJ-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.41
Rot. Bonds4

About 6-morpholin-4-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyridine-3-sulfonamide

6-morpholin-4-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyridine-3-sulfonamide (PubChem CID 46882623) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-morpholin-4-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyridine-3-sulfonamide
PubChem CID46882623
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name6-morpholin-4-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCNCC2)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C19H24N4O3S/c24-27(25,18-3-4-19(21-14-18)23-9-11-26-12-10-23)22-17-2-1-15-5-7-20-8-6-16(15)13-17/h1-4,13-14,20,22H,5-12H2
InChIKeyWNSXZWVIMFBNRJ-UHFFFAOYSA-N
XLogP1.41
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-morpholin-4-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyridine-3-sulfonamide (CID 46882623) is 6-morpholin-4-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-morpholin-4-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-morpholin-4-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyridine-3-sulfonamide is O=S(=O)(Nc1ccc2c(c1)CCNCC2)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of 6-morpholin-4-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyridine-3-sulfonamide?
The InChIKey is WNSXZWVIMFBNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c24-27(25,18-3-4-19(21-14-18)23-9-11-26-12-10-23)22-17-2-1-15-5-7-20-8-6-16(15)13-17/h1-4,13-14,20,22H,5-12H2.
What are the key properties of 6-morpholin-4-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyridine-3-sulfonamide?
6-morpholin-4-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyridine-3-sulfonamide has a molecular weight of 388.49 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 46882623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).