4-(1,1-dioxothiazinan-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

C18H22N2O5S2 — CID 7517116

IUPAC4-(1,1-dioxothiazinan-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N2O5S2/c1-25-17-8-4-15(5-9-17)14-19-27(23,24)18-10-6-16(7-11-18)20-12-2-3-13-26(20,21)22/h4-11,19H,2-3,12-14H2,1H3
InChIKeyPQQXAVUHQKCIGK-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.10
Rot. Bonds6

About 4-(1,1-dioxothiazinan-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

4-(1,1-dioxothiazinan-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 7517116) has the molecular formula C18H22N2O5S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-(1,1-dioxothiazinan-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazinan-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID7517116
Molecular FormulaC18H22N2O5S2
Molecular Weight410.52 g/mol
Exact Mass410.10
IUPAC Name4-(1,1-dioxothiazinan-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N2O5S2/c1-25-17-8-4-15(5-9-17)14-19-27(23,24)18-10-6-16(7-11-18)20-12-2-3-13-26(20,21)22/h4-11,19H,2-3,12-14H2,1H3
InChIKeyPQQXAVUHQKCIGK-UHFFFAOYSA-N
XLogP2.10
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.10
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-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (CID 7517116) is 4-(1,1-dioxothiazinan-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(1,1-dioxothiazinan-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(1,1-dioxothiazinan-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is COc1ccc(CNS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1.
What is the InChIKey of 4-(1,1-dioxothiazinan-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is PQQXAVUHQKCIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S2/c1-25-17-8-4-15(5-9-17)14-19-27(23,24)18-10-6-16(7-11-18)20-12-2-3-13-26(20,21)22/h4-11,19H,2-3,12-14H2,1H3.
What are the key properties of 4-(1,1-dioxothiazinan-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
4-(1,1-dioxothiazinan-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 410.52 g/mol, XLogP of 2.10, 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-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 7517116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).