3,5-dichloro-4-[(10-oxo-9H-pyrido[4,3-c][1,6]naphthyridin-6-yl)amino]benzenesulfonamide

C17H11Cl2N5O3S — CID 59436066

IUPAC3,5-dichloro-4-[(10-oxo-9H-pyrido[4,3-c][1,6]naphthyridin-6-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(Nc2nc3ccncc3c3c(=O)[nH]ccc23)c(Cl)c1
InChIInChI=1S/C17H11Cl2N5O3S/c18-11-5-8(28(20,26)27)6-12(19)15(11)24-16-9-1-4-22-17(25)14(9)10-7-21-3-2-13(10)23-16/h1-7H,(H,22,25)(H,23,24)(H2,20,26,27)
InChIKeyWJKYXXHHDXZQCI-UHFFFAOYSA-N
MW436.28 g/mol
LogP3.17
Rot. Bonds3

About 3,5-dichloro-4-[(10-oxo-9H-pyrido[4,3-c][1,6]naphthyridin-6-yl)amino]benzenesulfonamide

3,5-dichloro-4-[(10-oxo-9H-pyrido[4,3-c][1,6]naphthyridin-6-yl)amino]benzenesulfonamide (PubChem CID 59436066) has the molecular formula C17H11Cl2N5O3S and a molecular weight of 436.28 g/mol. Its IUPAC name is 3,5-dichloro-4-[(10-oxo-9H-pyrido[4,3-c][1,6]naphthyridin-6-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-4-[(10-oxo-9H-pyrido[4,3-c][1,6]naphthyridin-6-yl)amino]benzenesulfonamide
PubChem CID59436066
Molecular FormulaC17H11Cl2N5O3S
Molecular Weight436.28 g/mol
Exact Mass435.00
IUPAC Name3,5-dichloro-4-[(10-oxo-9H-pyrido[4,3-c][1,6]naphthyridin-6-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(Nc2nc3ccncc3c3c(=O)[nH]ccc23)c(Cl)c1
InChIInChI=1S/C17H11Cl2N5O3S/c18-11-5-8(28(20,26)27)6-12(19)15(11)24-16-9-1-4-22-17(25)14(9)10-7-21-3-2-13(10)23-16/h1-7H,(H,22,25)(H,23,24)(H2,20,26,27)
InChIKeyWJKYXXHHDXZQCI-UHFFFAOYSA-N
XLogP3.17
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.28
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(10-oxo-9H-pyrido[4,3-c][1,6]naphthyridin-6-yl)amino]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-4-[(10-oxo-9H-pyrido[4,3-c][1,6]naphthyridin-6-yl)amino]benzenesulfonamide (CID 59436066) is 3,5-dichloro-4-[(10-oxo-9H-pyrido[4,3-c][1,6]naphthyridin-6-yl)amino]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-4-[(10-oxo-9H-pyrido[4,3-c][1,6]naphthyridin-6-yl)amino]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-4-[(10-oxo-9H-pyrido[4,3-c][1,6]naphthyridin-6-yl)amino]benzenesulfonamide is NS(=O)(=O)c1cc(Cl)c(Nc2nc3ccncc3c3c(=O)[nH]ccc23)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-[(10-oxo-9H-pyrido[4,3-c][1,6]naphthyridin-6-yl)amino]benzenesulfonamide?
The InChIKey is WJKYXXHHDXZQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N5O3S/c18-11-5-8(28(20,26)27)6-12(19)15(11)24-16-9-1-4-22-17(25)14(9)10-7-21-3-2-13(10)23-16/h1-7H,(H,22,25)(H,23,24)(H2,20,26,27).
What are the key properties of 3,5-dichloro-4-[(10-oxo-9H-pyrido[4,3-c][1,6]naphthyridin-6-yl)amino]benzenesulfonamide?
3,5-dichloro-4-[(10-oxo-9H-pyrido[4,3-c][1,6]naphthyridin-6-yl)amino]benzenesulfonamide has a molecular weight of 436.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(10-oxo-9H-pyrido[4,3-c][1,6]naphthyridin-6-yl)amino]benzenesulfonamide is sourced from PubChem (CID 59436066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).