N-benzyl-4-(1,1-dioxothiazinan-2-yl)-N-ethylbenzenesulfonamide

C19H24N2O4S2 — CID 7517102

IUPACN-benzyl-4-(1,1-dioxothiazinan-2-yl)-N-ethylbenzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C19H24N2O4S2/c1-2-20(16-17-8-4-3-5-9-17)27(24,25)19-12-10-18(11-13-19)21-14-6-7-15-26(21,22)23/h3-5,8-13H,2,6-7,14-16H2,1H3
InChIKeyZIEIFNSHQFGQEB-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.83
Rot. Bonds6

About N-benzyl-4-(1,1-dioxothiazinan-2-yl)-N-ethylbenzenesulfonamide

N-benzyl-4-(1,1-dioxothiazinan-2-yl)-N-ethylbenzenesulfonamide (PubChem CID 7517102) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-benzyl-4-(1,1-dioxothiazinan-2-yl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-(1,1-dioxothiazinan-2-yl)-N-ethylbenzenesulfonamide
PubChem CID7517102
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC NameN-benzyl-4-(1,1-dioxothiazinan-2-yl)-N-ethylbenzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C19H24N2O4S2/c1-2-20(16-17-8-4-3-5-9-17)27(24,25)19-12-10-18(11-13-19)21-14-6-7-15-26(21,22)23/h3-5,8-13H,2,6-7,14-16H2,1H3
InChIKeyZIEIFNSHQFGQEB-UHFFFAOYSA-N
XLogP2.83
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-4-(1,1-dioxothiazinan-2-yl)-N-ethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(1,1-dioxothiazinan-2-yl)-N-ethylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-(1,1-dioxothiazinan-2-yl)-N-ethylbenzenesulfonamide (CID 7517102) is N-benzyl-4-(1,1-dioxothiazinan-2-yl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-(1,1-dioxothiazinan-2-yl)-N-ethylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-(1,1-dioxothiazinan-2-yl)-N-ethylbenzenesulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of N-benzyl-4-(1,1-dioxothiazinan-2-yl)-N-ethylbenzenesulfonamide?
The InChIKey is ZIEIFNSHQFGQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-2-20(16-17-8-4-3-5-9-17)27(24,25)19-12-10-18(11-13-19)21-14-6-7-15-26(21,22)23/h3-5,8-13H,2,6-7,14-16H2,1H3.
What are the key properties of N-benzyl-4-(1,1-dioxothiazinan-2-yl)-N-ethylbenzenesulfonamide?
N-benzyl-4-(1,1-dioxothiazinan-2-yl)-N-ethylbenzenesulfonamide has a molecular weight of 408.55 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(1,1-dioxothiazinan-2-yl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 7517102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).