4-(1,1-dioxothiazinan-2-yl)-N-(4-ethylphenyl)benzenesulfonamide

C18H22N2O4S2 — CID 7517145

IUPAC4-(1,1-dioxothiazinan-2-yl)-N-(4-ethylphenyl)benzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N2O4S2/c1-2-15-5-7-16(8-6-15)19-26(23,24)18-11-9-17(10-12-18)20-13-3-4-14-25(20,21)22/h5-12,19H,2-4,13-14H2,1H3
InChIKeyWJMMYTIDDNWFFZ-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.98
Rot. Bonds5

About 4-(1,1-dioxothiazinan-2-yl)-N-(4-ethylphenyl)benzenesulfonamide

4-(1,1-dioxothiazinan-2-yl)-N-(4-ethylphenyl)benzenesulfonamide (PubChem CID 7517145) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-(1,1-dioxothiazinan-2-yl)-N-(4-ethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazinan-2-yl)-N-(4-ethylphenyl)benzenesulfonamide
PubChem CID7517145
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC Name4-(1,1-dioxothiazinan-2-yl)-N-(4-ethylphenyl)benzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N2O4S2/c1-2-15-5-7-16(8-6-15)19-26(23,24)18-11-9-17(10-12-18)20-13-3-4-14-25(20,21)22/h5-12,19H,2-4,13-14H2,1H3
InChIKeyWJMMYTIDDNWFFZ-UHFFFAOYSA-N
XLogP2.98
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide
CID 7517150
4-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzenesulfonamide
CID 20962759
1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide
CID 7584636
4-cyclohexyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide
CID 25420949
3-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]benzenesulfonamide
CID 7584632
4-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyethyl)benzenesulfonamide
CID 7517083
4-(1,1-dioxothiazinan-2-yl)-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 7517119
4-ethyl-N-(4-nitrophenyl)benzenesulfonamide
CID 22774107
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 39776497
N-(cyclopentylsulfamoyl)-4-(1,1-dioxothiazinan-2-yl)aniline
CID 110622880
4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 7517162

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-(4-ethylphenyl)benzenesulfonamide?
The IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-(4-ethylphenyl)benzenesulfonamide (CID 7517145) is 4-(1,1-dioxothiazinan-2-yl)-N-(4-ethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(1,1-dioxothiazinan-2-yl)-N-(4-ethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(1,1-dioxothiazinan-2-yl)-N-(4-ethylphenyl)benzenesulfonamide is CCc1ccc(NS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1.
What is the InChIKey of 4-(1,1-dioxothiazinan-2-yl)-N-(4-ethylphenyl)benzenesulfonamide?
The InChIKey is WJMMYTIDDNWFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-2-15-5-7-16(8-6-15)19-26(23,24)18-11-9-17(10-12-18)20-13-3-4-14-25(20,21)22/h5-12,19H,2-4,13-14H2,1H3.
What are the key properties of 4-(1,1-dioxothiazinan-2-yl)-N-(4-ethylphenyl)benzenesulfonamide?
4-(1,1-dioxothiazinan-2-yl)-N-(4-ethylphenyl)benzenesulfonamide has a molecular weight of 394.52 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiazinan-2-yl)-N-(4-ethylphenyl)benzenesulfonamide is sourced from PubChem (CID 7517145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).