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

C17H19FN2O4S2 — CID 7216466

IUPAC4-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C17H19FN2O4S2/c18-15-5-3-14(4-6-15)13-19-26(23,24)17-9-7-16(8-10-17)20-11-1-2-12-25(20,21)22/h3-10,19H,1-2,11-13H2
InChIKeyAZFOVMBTEBRYDB-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.23
Rot. Bonds5

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

4-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 7216466) has the molecular formula C17H19FN2O4S2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
PubChem CID7216466
Molecular FormulaC17H19FN2O4S2
Molecular Weight398.48 g/mol
Exact Mass398.08
IUPAC Name4-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C17H19FN2O4S2/c18-15-5-3-14(4-6-15)13-19-26(23,24)17-9-7-16(8-10-17)20-11-1-2-12-25(20,21)22/h3-10,19H,1-2,11-13H2
InChIKeyAZFOVMBTEBRYDB-UHFFFAOYSA-N
XLogP2.23
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide (CID 7216466) is 4-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(F)cc1)c1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is AZFOVMBTEBRYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S2/c18-15-5-3-14(4-6-15)13-19-26(23,24)17-9-7-16(8-10-17)20-11-1-2-12-25(20,21)22/h3-10,19H,1-2,11-13H2.
What are the key properties of 4-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
4-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 398.48 g/mol, XLogP of 2.23, 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-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 7216466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).