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

C18H19ClN2O3S — CID 2812624

IUPAC4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3S/c19-16-5-3-15(4-6-16)18(22)20-17-7-1-14(2-8-17)13-21-9-11-25(23,24)12-10-21/h1-8H,9-13H2,(H,20,22)
InChIKeySFAOTPBSCYFVHD-UHFFFAOYSA-N
MW378.88 g/mol
LogP2.82
Rot. Bonds4

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

4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide (PubChem CID 2812624) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide
PubChem CID2812624
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3S/c19-16-5-3-15(4-6-16)18(22)20-17-7-1-14(2-8-17)13-21-9-11-25(23,24)12-10-21/h1-8H,9-13H2,(H,20,22)
InChIKeySFAOTPBSCYFVHD-UHFFFAOYSA-N
XLogP2.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 52.82
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]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide (CID 2812624) is 4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide is O=C(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide?
The InChIKey is SFAOTPBSCYFVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c19-16-5-3-15(4-6-16)18(22)20-17-7-1-14(2-8-17)13-21-9-11-25(23,24)12-10-21/h1-8H,9-13H2,(H,20,22).
What are the key properties of 4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide?
4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide has a molecular weight of 378.88 g/mol, XLogP of 2.82, 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]phenyl]benzamide is sourced from PubChem (CID 2812624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).