4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide;4-chloro-N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-yl-4-phenylbenzenesulfonamide

C66H49Cl3N8O8S4 — CID 157476888

IUPAC4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide;4-chloro-N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-yl-4-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc2ccncc12)c1ccc(Cl)cc1.O=S(=O)(Nc1cccc2ccncc12)c1ccc(-c2ccccc2)cc1.O=S(=O)(Nc1cccc2ccncc12)c1ccc(Cl)cc1.O=S(=O)(Nc1cccc2ccncc12)c1ccccc1
InChIInChI=1S/C21H16N2O2S.C15H10Cl2N2O2S.C15H11ClN2O2S.C15H12N2O2S/c24-26(25,23-21-8-4-7-18-13-14-22-15-20(18)21)19-11-9-17(10-12-19)16-5-2-1-3-6-16;16-11-1-3-13(4-2-11)22(20,21)19-15-8-12(17)7-10-5-6-18-9-14(10)15;16-12-4-6-13(7-5-12)21(19,20)18-15-3-1-2-11-8-9-17-10-14(11)15;18-20(19,13-6-2-1-3-7-13)17-15-8-4-5-12-9-10-16-11-14(12)15/h1-15,23H;1-9,19H;1-10,18H;1-11,17H
InChIKeyBVRUFJDKOOUBPM-UHFFFAOYSA-N
MW1316.79 g/mol
LogP15.77
Rot. Bonds13

About 4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide;4-chloro-N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-yl-4-phenylbenzenesulfonamide

4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide;4-chloro-N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-yl-4-phenylbenzenesulfonamide (PubChem CID 157476888) has the molecular formula C66H49Cl3N8O8S4 and a molecular weight of 1316.79 g/mol. Its IUPAC name is 4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide;4-chloro-N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-yl-4-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide;4-chloro-N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-yl-4-phenylbenzenesulfonamide
PubChem CID157476888
Molecular FormulaC66H49Cl3N8O8S4
Molecular Weight1316.79 g/mol
Exact Mass1314.16
IUPAC Name4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide;4-chloro-N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-yl-4-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc2ccncc12)c1ccc(Cl)cc1.O=S(=O)(Nc1cccc2ccncc12)c1ccc(-c2ccccc2)cc1.O=S(=O)(Nc1cccc2ccncc12)c1ccc(Cl)cc1.O=S(=O)(Nc1cccc2ccncc12)c1ccccc1
InChIInChI=1S/C21H16N2O2S.C15H10Cl2N2O2S.C15H11ClN2O2S.C15H12N2O2S/c24-26(25,23-21-8-4-7-18-13-14-22-15-20(18)21)19-11-9-17(10-12-19)16-5-2-1-3-6-16;16-11-1-3-13(4-2-11)22(20,21)19-15-8-12(17)7-10-5-6-18-9-14(10)15;16-12-4-6-13(7-5-12)21(19,20)18-15-3-1-2-11-8-9-17-10-14(11)15;18-20(19,13-6-2-1-3-7-13)17-15-8-4-5-12-9-10-16-11-14(12)15/h1-15,23H;1-9,19H;1-10,18H;1-11,17H
InChIKeyBVRUFJDKOOUBPM-UHFFFAOYSA-N
XLogP15.77
TPSA236.24 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001316.79
LogP ≤ 515.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide;4-chloro-N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-yl-4-phenylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide
CID 134243574
2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-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;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzenesulfonamide
CID 157366843
N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;N-(4-chloro-3-quinolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide
CID 157703128
4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide;4-chloro-N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-yl-4-phenylbenzenesulfonamide
CID 157910765
N-(1-chloroisoquinolin-6-yl)-4-methylbenzenesulfonamide;N-isoquinolin-6-yl-4-methylbenzenesulfonamide
CID 158795541
2-chloro-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-(3-isoquinolin-1-ylphenyl)benzenesulfonamide;2-chloro-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide;2-chloro-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-(3-quinolin-2-ylphenyl)benzenesulfonamide;4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzenesulfonamide
CID 160587713
4-chloro-N-(7-chloroisoquinolin-5-yl)benzenesulfonamide;4-chloro-N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-yl-4-phenylbenzenesulfonamide
CID 161227937
4-chloro-N-(7-chloroisoquinolin-5-yl)benzenesulfonamide;4-chloro-N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-yl-4-phenylbenzenesulfonamide
CID 161926174

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide;4-chloro-N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-yl-4-phenylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide;4-chloro-N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-yl-4-phenylbenzenesulfonamide (CID 157476888) is 4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide;4-chloro-N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-yl-4-phenylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide;4-chloro-N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-yl-4-phenylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide;4-chloro-N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-yl-4-phenylbenzenesulfonamide is O=S(=O)(Nc1cc(Cl)cc2ccncc12)c1ccc(Cl)cc1.O=S(=O)(Nc1cccc2ccncc12)c1ccc(-c2ccccc2)cc1.O=S(=O)(Nc1cccc2ccncc12)c1ccc(Cl)cc1.O=S(=O)(Nc1cccc2ccncc12)c1ccccc1.
What is the InChIKey of 4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide;4-chloro-N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-yl-4-phenylbenzenesulfonamide?
The InChIKey is BVRUFJDKOOUBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S.C15H10Cl2N2O2S.C15H11ClN2O2S.C15H12N2O2S/c24-26(25,23-21-8-4-7-18-13-14-22-15-20(18)21)19-11-9-17(10-12-19)16-5-2-1-3-6-16;16-11-1-3-13(4-2-11)22(20,21)19-15-8-12(17)7-10-5-6-18-9-14(10)15;16-12-4-6-13(7-5-12)21(19,20)18-15-3-1-2-11-8-9-17-10-14(11)15;18-20(19,13-6-2-1-3-7-13)17-15-8-4-5-12-9-10-16-11-14(12)15/h1-15,23H;1-9,19H;1-10,18H;1-11,17H.
What are the key properties of 4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide;4-chloro-N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-yl-4-phenylbenzenesulfonamide?
4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide;4-chloro-N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-yl-4-phenylbenzenesulfonamide has a molecular weight of 1316.79 g/mol, XLogP of 15.77, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide;4-chloro-N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-ylbenzenesulfonamide;N-isoquinolin-8-yl-4-phenylbenzenesulfonamide is sourced from PubChem (CID 157476888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).