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

C23H19Cl2N5O4S2 — CID 118463225

IUPAC2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1)c1ccc(N2CCCNS2(=O)=O)cc1Cl
InChIInChI=1S/C23H19Cl2N5O4S2/c24-19-5-3-16(12-18(19)22-6-2-15-14-26-10-8-21(15)28-22)29-35(31,32)23-7-4-17(13-20(23)25)30-11-1-9-27-36(30,33)34/h2-8,10,12-14,27,29H,1,9,11H2
InChIKeyXVZIANPMYDHTSQ-UHFFFAOYSA-N
MW564.48 g/mol
LogP4.45
Rot. Bonds5

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

2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide (PubChem CID 118463225) has the molecular formula C23H19Cl2N5O4S2 and a molecular weight of 564.48 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide
PubChem CID118463225
Molecular FormulaC23H19Cl2N5O4S2
Molecular Weight564.48 g/mol
Exact Mass563.03
IUPAC Name2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1)c1ccc(N2CCCNS2(=O)=O)cc1Cl
InChIInChI=1S/C23H19Cl2N5O4S2/c24-19-5-3-16(12-18(19)22-6-2-15-14-26-10-8-21(15)28-22)29-35(31,32)23-7-4-17(13-20(23)25)30-11-1-9-27-36(30,33)34/h2-8,10,12-14,27,29H,1,9,11H2
InChIKeyXVZIANPMYDHTSQ-UHFFFAOYSA-N
XLogP4.45
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.48
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide (CID 118463225) is 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1)c1ccc(N2CCCNS2(=O)=O)cc1Cl.
What is the InChIKey of 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide?
The InChIKey is XVZIANPMYDHTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N5O4S2/c24-19-5-3-16(12-18(19)22-6-2-15-14-26-10-8-21(15)28-22)29-35(31,32)23-7-4-17(13-20(23)25)30-11-1-9-27-36(30,33)34/h2-8,10,12-14,27,29H,1,9,11H2.
What are the key properties of 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide?
2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide has a molecular weight of 564.48 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 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-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide is sourced from PubChem (CID 118463225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).