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

C24H20Cl2N4O4S2 — CID 90129955

IUPAC2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1)c1ccc(N2CCCCS2(=O)=O)cc1Cl
InChIInChI=1S/C24H20Cl2N4O4S2/c25-20-6-4-17(13-19(20)23-7-3-16-15-27-10-9-22(16)28-23)29-36(33,34)24-8-5-18(14-21(24)26)30-11-1-2-12-35(30,31)32/h3-10,13-15,29H,1-2,11-12H2
InChIKeyIVIOVEIKYOWAAB-UHFFFAOYSA-N
MW563.49 g/mol
LogP5.33
Rot. Bonds5

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

2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide (PubChem CID 90129955) has the molecular formula C24H20Cl2N4O4S2 and a molecular weight of 563.49 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide
PubChem CID90129955
Molecular FormulaC24H20Cl2N4O4S2
Molecular Weight563.49 g/mol
Exact Mass562.03
IUPAC Name2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1)c1ccc(N2CCCCS2(=O)=O)cc1Cl
InChIInChI=1S/C24H20Cl2N4O4S2/c25-20-6-4-17(13-19(20)23-7-3-16-15-27-10-9-22(16)28-23)29-36(33,34)24-8-5-18(14-21(24)26)30-11-1-2-12-35(30,31)32/h3-10,13-15,29H,1-2,11-12H2
InChIKeyIVIOVEIKYOWAAB-UHFFFAOYSA-N
XLogP5.33
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.49
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)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-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide (CID 90129955) is 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1)c1ccc(N2CCCCS2(=O)=O)cc1Cl.
What is the InChIKey of 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide?
The InChIKey is IVIOVEIKYOWAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O4S2/c25-20-6-4-17(13-19(20)23-7-3-16-15-27-10-9-22(16)28-23)29-36(33,34)24-8-5-18(14-21(24)26)30-11-1-2-12-35(30,31)32/h3-10,13-15,29H,1-2,11-12H2.
What are the key properties of 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide?
2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide has a molecular weight of 563.49 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide is sourced from PubChem (CID 90129955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).