2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide

C24H22ClN5O4S2 — CID 118463229

IUPAC2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(N3CCCNS3(=O)=O)cc2Cl)cc1-c1ccc2cnccc2n1
InChIInChI=1S/C24H22ClN5O4S2/c1-16-3-5-18(13-20(16)23-7-4-17-15-26-11-9-22(17)28-23)29-35(31,32)24-8-6-19(14-21(24)25)30-12-2-10-27-36(30,33)34/h3-9,11,13-15,27,29H,2,10,12H2,1H3
InChIKeyKURJMDFSVUUCMI-UHFFFAOYSA-N
MW544.06 g/mol
LogP4.10
Rot. Bonds5

About 2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide

2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide (PubChem CID 118463229) has the molecular formula C24H22ClN5O4S2 and a molecular weight of 544.06 g/mol. Its IUPAC name is 2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide
PubChem CID118463229
Molecular FormulaC24H22ClN5O4S2
Molecular Weight544.06 g/mol
Exact Mass543.08
IUPAC Name2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(N3CCCNS3(=O)=O)cc2Cl)cc1-c1ccc2cnccc2n1
InChIInChI=1S/C24H22ClN5O4S2/c1-16-3-5-18(13-20(16)23-7-4-17-15-26-11-9-22(17)28-23)29-35(31,32)24-8-6-19(14-21(24)25)30-12-2-10-27-36(30,33)34/h3-9,11,13-15,27,29H,2,10,12H2,1H3
InChIKeyKURJMDFSVUUCMI-UHFFFAOYSA-N
XLogP4.10
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.06
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide (CID 118463229) is 2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(N3CCCNS3(=O)=O)cc2Cl)cc1-c1ccc2cnccc2n1.
What is the InChIKey of 2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is KURJMDFSVUUCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O4S2/c1-16-3-5-18(13-20(16)23-7-4-17-15-26-11-9-22(17)28-23)29-35(31,32)24-8-6-19(14-21(24)25)30-12-2-10-27-36(30,33)34/h3-9,11,13-15,27,29H,2,10,12H2,1H3.
What are the key properties of 2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide?
2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 544.06 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 118463229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).