N-(2-methylcyclohexyl)-3-oxo-4H-1,4-benzothiazine-7-sulfonamide

C15H20N2O3S2 — CID 126457755

IUPACN-(2-methylcyclohexyl)-3-oxo-4H-1,4-benzothiazine-7-sulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1ccc2c(c1)SCC(=O)N2
InChIInChI=1S/C15H20N2O3S2/c1-10-4-2-3-5-12(10)17-22(19,20)11-6-7-13-14(8-11)21-9-15(18)16-13/h6-8,10,12,17H,2-5,9H2,1H3,(H,16,18)
InChIKeyDLOZRZZZQFIUQS-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.59
Rot. Bonds3

About N-(2-methylcyclohexyl)-3-oxo-4H-1,4-benzothiazine-7-sulfonamide

N-(2-methylcyclohexyl)-3-oxo-4H-1,4-benzothiazine-7-sulfonamide (PubChem CID 126457755) has the molecular formula C15H20N2O3S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-3-oxo-4H-1,4-benzothiazine-7-sulfonamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-3-oxo-4H-1,4-benzothiazine-7-sulfonamide
PubChem CID126457755
Molecular FormulaC15H20N2O3S2
Molecular Weight340.47 g/mol
Exact Mass340.09
IUPAC NameN-(2-methylcyclohexyl)-3-oxo-4H-1,4-benzothiazine-7-sulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1ccc2c(c1)SCC(=O)N2
InChIInChI=1S/C15H20N2O3S2/c1-10-4-2-3-5-12(10)17-22(19,20)11-6-7-13-14(8-11)21-9-15(18)16-13/h6-8,10,12,17H,2-5,9H2,1H3,(H,16,18)
InChIKeyDLOZRZZZQFIUQS-UHFFFAOYSA-N
XLogP2.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 22550000
N-(2-methylcyclohexyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 43119924
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 801295
N-(2-methylcyclohexyl)-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]propanamide
CID 24791934
N-(2-methylcyclohexyl)-9,10-dioxoanthracene-2-sulfonamide
CID 172880571
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
N-(2,3-dimethylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 126457773
4-[(2-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958130
N-butyl-3-oxo-4H-1,4-benzothiazine-7-sulfonamide
CID 126458806
3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 50876225
3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106612264

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-3-oxo-4H-1,4-benzothiazine-7-sulfonamide?
The IUPAC name of N-(2-methylcyclohexyl)-3-oxo-4H-1,4-benzothiazine-7-sulfonamide (CID 126457755) is N-(2-methylcyclohexyl)-3-oxo-4H-1,4-benzothiazine-7-sulfonamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-3-oxo-4H-1,4-benzothiazine-7-sulfonamide?
The canonical SMILES for N-(2-methylcyclohexyl)-3-oxo-4H-1,4-benzothiazine-7-sulfonamide is CC1CCCCC1NS(=O)(=O)c1ccc2c(c1)SCC(=O)N2.
What is the InChIKey of N-(2-methylcyclohexyl)-3-oxo-4H-1,4-benzothiazine-7-sulfonamide?
The InChIKey is DLOZRZZZQFIUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S2/c1-10-4-2-3-5-12(10)17-22(19,20)11-6-7-13-14(8-11)21-9-15(18)16-13/h6-8,10,12,17H,2-5,9H2,1H3,(H,16,18).
What are the key properties of N-(2-methylcyclohexyl)-3-oxo-4H-1,4-benzothiazine-7-sulfonamide?
N-(2-methylcyclohexyl)-3-oxo-4H-1,4-benzothiazine-7-sulfonamide has a molecular weight of 340.47 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-3-oxo-4H-1,4-benzothiazine-7-sulfonamide is sourced from PubChem (CID 126457755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).