N-cyclohexyl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide

C18H28N2O5S2 — CID 39776404

IUPACN-cyclohexyl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C18H28N2O5S2/c1-2-25-17-11-10-16(20-12-6-7-13-26(20,21)22)14-18(17)27(23,24)19-15-8-4-3-5-9-15/h10-11,14-15,19H,2-9,12-13H2,1H3
InChIKeyLKWRKRAMARWPKW-UHFFFAOYSA-N
MW416.57 g/mol
LogP2.63
Rot. Bonds6

About N-cyclohexyl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide

N-cyclohexyl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide (PubChem CID 39776404) has the molecular formula C18H28N2O5S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-cyclohexyl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
PubChem CID39776404
Molecular FormulaC18H28N2O5S2
Molecular Weight416.57 g/mol
Exact Mass416.14
IUPAC NameN-cyclohexyl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C18H28N2O5S2/c1-2-25-17-11-10-16(20-12-6-7-13-26(20,21)22)14-18(17)27(23,24)19-15-8-4-3-5-9-15/h10-11,14-15,19H,2-9,12-13H2,1H3
InChIKeyLKWRKRAMARWPKW-UHFFFAOYSA-N
XLogP2.63
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
CID 46307101
5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 39776497
N-(2,6-diethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
CID 39776514
5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 39776407
N-(2,3-dimethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
CID 39776506
N-cyclopropyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005629
2-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide
CID 39776409
N-cycloheptyl-4-(1,1-dioxothiazinan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 39776210
N-(cyclopentylsulfamoyl)-4-(1,1-dioxothiazinan-2-yl)aniline
CID 110622880
N-cyclopentyl-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53117946
4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 7517163
4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 7517162

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide?
The IUPAC name of N-cyclohexyl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide (CID 39776404) is N-cyclohexyl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide is CCOc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide?
The InChIKey is LKWRKRAMARWPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S2/c1-2-25-17-11-10-16(20-12-6-7-13-26(20,21)22)14-18(17)27(23,24)19-15-8-4-3-5-9-15/h10-11,14-15,19H,2-9,12-13H2,1H3.
What are the key properties of N-cyclohexyl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide?
N-cyclohexyl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide has a molecular weight of 416.57 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 39776404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).