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

C25H23ClN4O4S2 — CID 118463023

IUPAC2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1-c1ccc2cnccc2n1
InChIInChI=1S/C25H23ClN4O4S2/c1-17-4-6-19(14-21(17)24-8-5-18-16-27-11-10-23(18)28-24)29-36(33,34)25-9-7-20(15-22(25)26)30-12-2-3-13-35(30,31)32/h4-11,14-16,29H,2-3,12-13H2,1H3
InChIKeyKSWKLHZZADWYGI-UHFFFAOYSA-N
MW543.07 g/mol
LogP4.99
Rot. Bonds5

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

2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide (PubChem CID 118463023) has the molecular formula C25H23ClN4O4S2 and a molecular weight of 543.07 g/mol. Its IUPAC name is 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide
PubChem CID118463023
Molecular FormulaC25H23ClN4O4S2
Molecular Weight543.07 g/mol
Exact Mass542.08
IUPAC Name2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1-c1ccc2cnccc2n1
InChIInChI=1S/C25H23ClN4O4S2/c1-17-4-6-19(14-21(17)24-8-5-18-16-27-11-10-23(18)28-24)29-36(33,34)25-9-7-20(15-22(25)26)30-12-2-3-13-35(30,31)32/h4-11,14-16,29H,2-3,12-13H2,1H3
InChIKeyKSWKLHZZADWYGI-UHFFFAOYSA-N
XLogP4.99
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.07
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide (CID 118463023) is 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1-c1ccc2cnccc2n1.
What is the InChIKey of 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is KSWKLHZZADWYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O4S2/c1-17-4-6-19(14-21(17)24-8-5-18-16-27-11-10-23(18)28-24)29-36(33,34)25-9-7-20(15-22(25)26)30-12-2-3-13-35(30,31)32/h4-11,14-16,29H,2-3,12-13H2,1H3.
What are the key properties of 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide?
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 543.07 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 118463023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).