4-(1,1-dioxothiazinan-2-yl)-N-methyl-N-phenylbenzenesulfonamide

C17H20N2O4S2 — CID 20962754

IUPAC4-(1,1-dioxothiazinan-2-yl)-N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C17H20N2O4S2/c1-18(15-7-3-2-4-8-15)25(22,23)17-11-9-16(10-12-17)19-13-5-6-14-24(19,20)21/h2-4,7-12H,5-6,13-14H2,1H3
InChIKeyVVLIWFOGZPRQKX-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.44
Rot. Bonds4

About 4-(1,1-dioxothiazinan-2-yl)-N-methyl-N-phenylbenzenesulfonamide

4-(1,1-dioxothiazinan-2-yl)-N-methyl-N-phenylbenzenesulfonamide (PubChem CID 20962754) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-(1,1-dioxothiazinan-2-yl)-N-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazinan-2-yl)-N-methyl-N-phenylbenzenesulfonamide
PubChem CID20962754
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name4-(1,1-dioxothiazinan-2-yl)-N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C17H20N2O4S2/c1-18(15-7-3-2-4-8-15)25(22,23)17-11-9-16(10-12-17)19-13-5-6-14-24(19,20)21/h2-4,7-12H,5-6,13-14H2,1H3
InChIKeyVVLIWFOGZPRQKX-UHFFFAOYSA-N
XLogP2.44
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-methyl-N-phenylbenzenesulfonamide (CID 20962754) is 4-(1,1-dioxothiazinan-2-yl)-N-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-(1,1-dioxothiazinan-2-yl)-N-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-(1,1-dioxothiazinan-2-yl)-N-methyl-N-phenylbenzenesulfonamide is CN(c1ccccc1)S(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxothiazinan-2-yl)-N-methyl-N-phenylbenzenesulfonamide?
The InChIKey is VVLIWFOGZPRQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-18(15-7-3-2-4-8-15)25(22,23)17-11-9-16(10-12-17)19-13-5-6-14-24(19,20)21/h2-4,7-12H,5-6,13-14H2,1H3.
What are the key properties of 4-(1,1-dioxothiazinan-2-yl)-N-methyl-N-phenylbenzenesulfonamide?
4-(1,1-dioxothiazinan-2-yl)-N-methyl-N-phenylbenzenesulfonamide has a molecular weight of 380.49 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiazinan-2-yl)-N-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 20962754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).