4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]naphthalen-1-yl]benzamide

C22H21ClN2O3S — CID 156853752

IUPAC4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]naphthalen-1-yl]benzamide
SMILESO=C(Nc1ccc(CN2CCS(=O)(=O)CC2)c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O3S/c23-18-8-5-16(6-9-18)22(26)24-21-10-7-17(19-3-1-2-4-20(19)21)15-25-11-13-29(27,28)14-12-25/h1-10H,11-15H2,(H,24,26)
InChIKeyBJIUNPUSWINART-UHFFFAOYSA-N
MW428.94 g/mol
LogP3.98
Rot. Bonds4

About 4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]naphthalen-1-yl]benzamide

4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]naphthalen-1-yl]benzamide (PubChem CID 156853752) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is 4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]naphthalen-1-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]naphthalen-1-yl]benzamide
PubChem CID156853752
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC Name4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]naphthalen-1-yl]benzamide
SMILESO=C(Nc1ccc(CN2CCS(=O)(=O)CC2)c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O3S/c23-18-8-5-16(6-9-18)22(26)24-21-10-7-17(19-3-1-2-4-20(19)21)15-25-11-13-29(27,28)14-12-25/h1-10H,11-15H2,(H,24,26)
InChIKeyBJIUNPUSWINART-UHFFFAOYSA-N
XLogP3.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]naphthalen-1-yl]benzamide?
The IUPAC name of 4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]naphthalen-1-yl]benzamide (CID 156853752) is 4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]naphthalen-1-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]naphthalen-1-yl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]naphthalen-1-yl]benzamide is O=C(Nc1ccc(CN2CCS(=O)(=O)CC2)c2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]naphthalen-1-yl]benzamide?
The InChIKey is BJIUNPUSWINART-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c23-18-8-5-16(6-9-18)22(26)24-21-10-7-17(19-3-1-2-4-20(19)21)15-25-11-13-29(27,28)14-12-25/h1-10H,11-15H2,(H,24,26).
What are the key properties of 4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]naphthalen-1-yl]benzamide?
4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]naphthalen-1-yl]benzamide has a molecular weight of 428.94 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]naphthalen-1-yl]benzamide is sourced from PubChem (CID 156853752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).