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

C22H22N2O5S2 — CID 20962759

IUPAC4-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C22H22N2O5S2/c25-30(26)17-5-4-16-24(30)19-10-14-22(15-11-19)31(27,28)23-18-8-12-21(13-9-18)29-20-6-2-1-3-7-20/h1-3,6-15,23H,4-5,16-17H2
InChIKeyJMSOYQKJDCJKPV-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.21
Rot. Bonds6

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

4-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzenesulfonamide (PubChem CID 20962759) has the molecular formula C22H22N2O5S2 and a molecular weight of 458.56 g/mol. Its IUPAC name is 4-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzenesulfonamide
PubChem CID20962759
Molecular FormulaC22H22N2O5S2
Molecular Weight458.56 g/mol
Exact Mass458.10
IUPAC Name4-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C22H22N2O5S2/c25-30(26)17-5-4-16-24(30)19-10-14-22(15-11-19)31(27,28)23-18-8-12-21(13-9-18)29-20-6-2-1-3-7-20/h1-3,6-15,23H,4-5,16-17H2
InChIKeyJMSOYQKJDCJKPV-UHFFFAOYSA-N
XLogP4.21
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzenesulfonamide (CID 20962759) is 4-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzenesulfonamide?
The InChIKey is JMSOYQKJDCJKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S2/c25-30(26)17-5-4-16-24(30)19-10-14-22(15-11-19)31(27,28)23-18-8-12-21(13-9-18)29-20-6-2-1-3-7-20/h1-3,6-15,23H,4-5,16-17H2.
What are the key properties of 4-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzenesulfonamide?
4-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzenesulfonamide has a molecular weight of 458.56 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 20962759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).