N-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide

C16H22N2O3S2 — CID 22550000

IUPACN-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
SMILESO=C1CSc2ccc(S(=O)(=O)NC3CCCCCCC3)cc2N1
InChIInChI=1S/C16H22N2O3S2/c19-16-11-22-15-9-8-13(10-14(15)17-16)23(20,21)18-12-6-4-2-1-3-5-7-12/h8-10,12,18H,1-7,11H2,(H,17,19)
InChIKeyJJNLRMDOQZNDQQ-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.12
Rot. Bonds3

About N-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide

N-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide (PubChem CID 22550000) has the molecular formula C16H22N2O3S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide.

Molecular Properties

Compound NameN-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
PubChem CID22550000
Molecular FormulaC16H22N2O3S2
Molecular Weight354.50 g/mol
Exact Mass354.11
IUPAC NameN-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
SMILESO=C1CSc2ccc(S(=O)(=O)NC3CCCCCCC3)cc2N1
InChIInChI=1S/C16H22N2O3S2/c19-16-11-22-15-9-8-13(10-14(15)17-16)23(20,21)18-12-6-4-2-1-3-5-7-12/h8-10,12,18H,1-7,11H2,(H,17,19)
InChIKeyJJNLRMDOQZNDQQ-UHFFFAOYSA-N
XLogP3.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylcyclohexyl)-3-oxo-4H-1,4-benzothiazine-7-sulfonamide
CID 126457755
N-cycloheptyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 20858702
N-cycloheptyl-2-methyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]propanamide
CID 20923258
3-oxo-N-(2,4,6-trimethylphenyl)-4H-1,4-benzothiazine-6-sulfonamide
CID 22550030
3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-sulfonamide
CID 110759474
N-cyclooctyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide
CID 20911788
N-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927826
N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 110759476
N-cyclopentyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide
CID 46276291
N-cycloheptyl-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 50835292
N-(4-cyanophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 110759482
N-benzyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 22550066

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
The IUPAC name of N-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide (CID 22550000) is N-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide.
What is the SMILES notation for N-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
The canonical SMILES for N-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide is O=C1CSc2ccc(S(=O)(=O)NC3CCCCCCC3)cc2N1.
What is the InChIKey of N-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
The InChIKey is JJNLRMDOQZNDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S2/c19-16-11-22-15-9-8-13(10-14(15)17-16)23(20,21)18-12-6-4-2-1-3-5-7-12/h8-10,12,18H,1-7,11H2,(H,17,19).
What are the key properties of N-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
N-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide has a molecular weight of 354.50 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide is sourced from PubChem (CID 22550000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).