2-amino-5-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)pyridine-3-sulfonamide

C14H16N4O3S — CID 67813899

IUPAC2-amino-5-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)pyridine-3-sulfonamide
SMILESNc1ncc(-c2ccc3c(c2)CNCCO3)cc1S(N)(=O)=O
InChIInChI=1S/C14H16N4O3S/c15-14-13(22(16,19)20)6-10(8-18-14)9-1-2-12-11(5-9)7-17-3-4-21-12/h1-2,5-6,8,17H,3-4,7H2,(H2,15,18)(H2,16,19,20)
InChIKeyWDCRVRNWHYBPCN-UHFFFAOYSA-N
MW320.37 g/mol
LogP0.46
Rot. Bonds2

About 2-amino-5-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)pyridine-3-sulfonamide

2-amino-5-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)pyridine-3-sulfonamide (PubChem CID 67813899) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-amino-5-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)pyridine-3-sulfonamide
PubChem CID67813899
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name2-amino-5-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)pyridine-3-sulfonamide
SMILESNc1ncc(-c2ccc3c(c2)CNCCO3)cc1S(N)(=O)=O
InChIInChI=1S/C14H16N4O3S/c15-14-13(22(16,19)20)6-10(8-18-14)9-1-2-12-11(5-9)7-17-3-4-21-12/h1-2,5-6,8,17H,3-4,7H2,(H2,15,18)(H2,16,19,20)
InChIKeyWDCRVRNWHYBPCN-UHFFFAOYSA-N
XLogP0.46
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)pyridine-3-sulfonamide;dihydrochloride
CID 67813898
7-(6-methyl-5-methylsulfonyl-3-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 91368714
2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]-5-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)pyridine-3-sulfonamide
CID 123906688
methyl 4-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzoate;hydrochloride
CID 66820482
7-[4-(1-methylimidazol-2-yl)phenyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 91270962
7-(2-methyl-4,5-dihydro-3H-1-benzazepin-8-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 90694668
2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzoic acid
CID 66821500
2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ol;hydrochloride
CID 122164454
7-(2-propan-2-yl-3H-benzimidazol-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 173110812
N-hydroxy-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
CID 122485771
2-amino-N-(8-azabicyclo[3.2.1]octan-3-yl)-5-[4-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]pyridine-3-sulfonamide
CID 59586249
5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine
CID 62492220

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)pyridine-3-sulfonamide (CID 67813899) is 2-amino-5-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)pyridine-3-sulfonamide is Nc1ncc(-c2ccc3c(c2)CNCCO3)cc1S(N)(=O)=O.
What is the InChIKey of 2-amino-5-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)pyridine-3-sulfonamide?
The InChIKey is WDCRVRNWHYBPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c15-14-13(22(16,19)20)6-10(8-18-14)9-1-2-12-11(5-9)7-17-3-4-21-12/h1-2,5-6,8,17H,3-4,7H2,(H2,15,18)(H2,16,19,20).
What are the key properties of 2-amino-5-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)pyridine-3-sulfonamide?
2-amino-5-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)pyridine-3-sulfonamide has a molecular weight of 320.37 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 67813899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).