4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide

C12H11N3O4S2 — CID 110759128

IUPAC4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide
SMILESO=C1CCOc2ccc(S(=O)(=O)Nc3nccs3)cc2N1
InChIInChI=1S/C12H11N3O4S2/c16-11-3-5-19-10-2-1-8(7-9(10)14-11)21(17,18)15-12-13-4-6-20-12/h1-2,4,6-7H,3,5H2,(H,13,15)(H,14,16)
InChIKeyGQCRHIGJINVCJV-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.66
Rot. Bonds3

About 4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide

4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide (PubChem CID 110759128) has the molecular formula C12H11N3O4S2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide.

Molecular Properties

Compound Name4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide
PubChem CID110759128
Molecular FormulaC12H11N3O4S2
Molecular Weight325.37 g/mol
Exact Mass325.02
IUPAC Name4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide
SMILESO=C1CCOc2ccc(S(=O)(=O)Nc3nccs3)cc2N1
InChIInChI=1S/C12H11N3O4S2/c16-11-3-5-19-10-2-1-8(7-9(10)14-11)21(17,18)15-12-13-4-6-20-12/h1-2,4,6-7H,3,5H2,(H,13,15)(H,14,16)
InChIKeyGQCRHIGJINVCJV-UHFFFAOYSA-N
XLogP1.66
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide with MolForge

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Related Compounds

3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-sulfonamide
CID 110759474
4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110764062
N-(2-ethylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide
CID 110759122
N-butyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide
CID 110759072
N-(3-methylbutyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide
CID 110759104
7-hydroxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82490641
methyl 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]thiophene-2-carboxylate
CID 16615870
N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 87757519
3-oxo-N-(5-pyrimidin-5-yl-2-pyridinyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 167959495
N-(3,4-dichlorophenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 31699666
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
7-(5-amino-1,3-thiazol-4-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82485094

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide?
The IUPAC name of 4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide (CID 110759128) is 4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide.
What is the SMILES notation for 4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide?
The canonical SMILES for 4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide is O=C1CCOc2ccc(S(=O)(=O)Nc3nccs3)cc2N1.
What is the InChIKey of 4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide?
The InChIKey is GQCRHIGJINVCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S2/c16-11-3-5-19-10-2-1-8(7-9(10)14-11)21(17,18)15-12-13-4-6-20-12/h1-2,4,6-7H,3,5H2,(H,13,15)(H,14,16).
What are the key properties of 4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide?
4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide has a molecular weight of 325.37 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide is sourced from PubChem (CID 110759128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).