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

C17H19ClN2O4S2 — CID 2814919

IUPAC4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzenesulfonamide
SMILESO=S1(=O)CCN(Cc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C17H19ClN2O4S2/c18-15-3-7-17(8-4-15)26(23,24)19-16-5-1-14(2-6-16)13-20-9-11-25(21,22)12-10-20/h1-8,19H,9-13H2
InChIKeyLILVQESGSPGQMQ-UHFFFAOYSA-N
MW414.94 g/mol
LogP2.37
Rot. Bonds5

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

4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzenesulfonamide (PubChem CID 2814919) has the molecular formula C17H19ClN2O4S2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzenesulfonamide
PubChem CID2814919
Molecular FormulaC17H19ClN2O4S2
Molecular Weight414.94 g/mol
Exact Mass414.05
IUPAC Name4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzenesulfonamide
SMILESO=S1(=O)CCN(Cc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C17H19ClN2O4S2/c18-15-3-7-17(8-4-15)26(23,24)19-16-5-1-14(2-6-16)13-20-9-11-25(21,22)12-10-20/h1-8,19H,9-13H2
InChIKeyLILVQESGSPGQMQ-UHFFFAOYSA-N
XLogP2.37
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzenesulfonamide (CID 2814919) is 4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzenesulfonamide is O=S1(=O)CCN(Cc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzenesulfonamide?
The InChIKey is LILVQESGSPGQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S2/c18-15-3-7-17(8-4-15)26(23,24)19-16-5-1-14(2-6-16)13-20-9-11-25(21,22)12-10-20/h1-8,19H,9-13H2.
What are the key properties of 4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzenesulfonamide?
4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzenesulfonamide has a molecular weight of 414.94 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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]benzenesulfonamide is sourced from PubChem (CID 2814919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).