2-amino-4-methoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide;2-amino-4-methoxy-N-quinolin-8-ylbenzenesulfonamide;2-amino-N-quinolin-8-ylbenzenesulfonamide;2-chloro-N-quinolin-8-ylbenzenesulfonamide;2-methyl-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide

C95H84ClN15O14S6 — CID 159506325

IUPAC2-amino-4-methoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide;2-amino-4-methoxy-N-quinolin-8-ylbenzenesulfonamide;2-amino-N-quinolin-8-ylbenzenesulfonamide;2-chloro-N-quinolin-8-ylbenzenesulfonamide;2-methyl-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3ccc(C)nc23)c(N)c1.COc1ccc(S(=O)(=O)Nc2cccc3cccnc23)c(N)c1.Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1.Cc1ccccc1S(=O)(=O)Nc1cccc2cccnc12.Nc1ccccc1S(=O)(=O)Nc1cccc2cccnc12.O=S(=O)(Nc1cccc2cccnc12)c1ccccc1Cl
InChIInChI=1S/C17H17N3O3S.C16H15N3O3S.2C16H14N2O2S.C15H11ClN2O2S.C15H13N3O2S/c1-11-6-7-12-4-3-5-15(17(12)19-11)20-24(21,22)16-9-8-13(23-2)10-14(16)18;1-22-12-7-8-15(13(17)10-12)23(20,21)19-14-6-2-4-11-5-3-9-18-16(11)14;1-12-7-9-14(10-8-12)21(19,20)18-15-6-2-4-13-5-3-11-17-16(13)15;1-12-6-2-3-10-15(12)21(19,20)18-14-9-4-7-13-8-5-11-17-16(13)14;2*16-12-7-1-2-9-14(12)21(19,20)18-13-8-3-5-11-6-4-10-17-15(11)13/h3-10,20H,18H2,1-2H3;2-10,19H,17H2,1H3;2*2-11,18H,1H3;1-10,18H;1-10,18H,16H2
InChIKeyMAAPKBAJHJVOQZ-UHFFFAOYSA-N
MW1887.66 g/mol
LogP18.56
Rot. Bonds20

About 2-amino-4-methoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide;2-amino-4-methoxy-N-quinolin-8-ylbenzenesulfonamide;2-amino-N-quinolin-8-ylbenzenesulfonamide;2-chloro-N-quinolin-8-ylbenzenesulfonamide;2-methyl-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide

2-amino-4-methoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide;2-amino-4-methoxy-N-quinolin-8-ylbenzenesulfonamide;2-amino-N-quinolin-8-ylbenzenesulfonamide;2-chloro-N-quinolin-8-ylbenzenesulfonamide;2-methyl-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide (PubChem CID 159506325) has the molecular formula C95H84ClN15O14S6 and a molecular weight of 1887.66 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide;2-amino-4-methoxy-N-quinolin-8-ylbenzenesulfonamide;2-amino-N-quinolin-8-ylbenzenesulfonamide;2-chloro-N-quinolin-8-ylbenzenesulfonamide;2-methyl-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide;2-amino-4-methoxy-N-quinolin-8-ylbenzenesulfonamide;2-amino-N-quinolin-8-ylbenzenesulfonamide;2-chloro-N-quinolin-8-ylbenzenesulfonamide;2-methyl-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide
PubChem CID159506325
Molecular FormulaC95H84ClN15O14S6
Molecular Weight1887.66 g/mol
Exact Mass1885.43
IUPAC Name2-amino-4-methoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide;2-amino-4-methoxy-N-quinolin-8-ylbenzenesulfonamide;2-amino-N-quinolin-8-ylbenzenesulfonamide;2-chloro-N-quinolin-8-ylbenzenesulfonamide;2-methyl-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3ccc(C)nc23)c(N)c1.COc1ccc(S(=O)(=O)Nc2cccc3cccnc23)c(N)c1.Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1.Cc1ccccc1S(=O)(=O)Nc1cccc2cccnc12.Nc1ccccc1S(=O)(=O)Nc1cccc2cccnc12.O=S(=O)(Nc1cccc2cccnc12)c1ccccc1Cl
InChIInChI=1S/C17H17N3O3S.C16H15N3O3S.2C16H14N2O2S.C15H11ClN2O2S.C15H13N3O2S/c1-11-6-7-12-4-3-5-15(17(12)19-11)20-24(21,22)16-9-8-13(23-2)10-14(16)18;1-22-12-7-8-15(13(17)10-12)23(20,21)19-14-6-2-4-11-5-3-9-18-16(11)14;1-12-7-9-14(10-8-12)21(19,20)18-15-6-2-4-13-5-3-11-17-16(13)15;1-12-6-2-3-10-15(12)21(19,20)18-14-9-4-7-13-8-5-11-17-16(13)14;2*16-12-7-1-2-9-14(12)21(19,20)18-13-8-3-5-11-6-4-10-17-15(11)13/h3-10,20H,18H2,1-2H3;2-10,19H,17H2,1H3;2*2-11,18H,1H3;1-10,18H;1-10,18H,16H2
InChIKeyMAAPKBAJHJVOQZ-UHFFFAOYSA-N
XLogP18.56
TPSA450.88 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds20
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001887.66
LogP ≤ 518.56
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 2-amino-4-methoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide;2-amino-4-methoxy-N-quinolin-8-ylbenzenesulfonamide;2-amino-N-quinolin-8-ylbenzenesulfonamide;2-chloro-N-quinolin-8-ylbenzenesulfonamide;2-methyl-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide;2-amino-4-methoxy-N-quinolin-8-ylbenzenesulfonamide;2-amino-N-quinolin-8-ylbenzenesulfonamide;2-chloro-N-quinolin-8-ylbenzenesulfonamide;2-methyl-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide?
The IUPAC name of 2-amino-4-methoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide;2-amino-4-methoxy-N-quinolin-8-ylbenzenesulfonamide;2-amino-N-quinolin-8-ylbenzenesulfonamide;2-chloro-N-quinolin-8-ylbenzenesulfonamide;2-methyl-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide (CID 159506325) is 2-amino-4-methoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide;2-amino-4-methoxy-N-quinolin-8-ylbenzenesulfonamide;2-amino-N-quinolin-8-ylbenzenesulfonamide;2-chloro-N-quinolin-8-ylbenzenesulfonamide;2-methyl-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide;2-amino-4-methoxy-N-quinolin-8-ylbenzenesulfonamide;2-amino-N-quinolin-8-ylbenzenesulfonamide;2-chloro-N-quinolin-8-ylbenzenesulfonamide;2-methyl-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-methoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide;2-amino-4-methoxy-N-quinolin-8-ylbenzenesulfonamide;2-amino-N-quinolin-8-ylbenzenesulfonamide;2-chloro-N-quinolin-8-ylbenzenesulfonamide;2-methyl-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc3ccc(C)nc23)c(N)c1.COc1ccc(S(=O)(=O)Nc2cccc3cccnc23)c(N)c1.Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1.Cc1ccccc1S(=O)(=O)Nc1cccc2cccnc12.Nc1ccccc1S(=O)(=O)Nc1cccc2cccnc12.O=S(=O)(Nc1cccc2cccnc12)c1ccccc1Cl.
What is the InChIKey of 2-amino-4-methoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide;2-amino-4-methoxy-N-quinolin-8-ylbenzenesulfonamide;2-amino-N-quinolin-8-ylbenzenesulfonamide;2-chloro-N-quinolin-8-ylbenzenesulfonamide;2-methyl-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide?
The InChIKey is MAAPKBAJHJVOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S.C16H15N3O3S.2C16H14N2O2S.C15H11ClN2O2S.C15H13N3O2S/c1-11-6-7-12-4-3-5-15(17(12)19-11)20-24(21,22)16-9-8-13(23-2)10-14(16)18;1-22-12-7-8-15(13(17)10-12)23(20,21)19-14-6-2-4-11-5-3-9-18-16(11)14;1-12-7-9-14(10-8-12)21(19,20)18-15-6-2-4-13-5-3-11-17-16(13)15;1-12-6-2-3-10-15(12)21(19,20)18-14-9-4-7-13-8-5-11-17-16(13)14;2*16-12-7-1-2-9-14(12)21(19,20)18-13-8-3-5-11-6-4-10-17-15(11)13/h3-10,20H,18H2,1-2H3;2-10,19H,17H2,1H3;2*2-11,18H,1H3;1-10,18H;1-10,18H,16H2.
What are the key properties of 2-amino-4-methoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide;2-amino-4-methoxy-N-quinolin-8-ylbenzenesulfonamide;2-amino-N-quinolin-8-ylbenzenesulfonamide;2-chloro-N-quinolin-8-ylbenzenesulfonamide;2-methyl-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide?
2-amino-4-methoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide;2-amino-4-methoxy-N-quinolin-8-ylbenzenesulfonamide;2-amino-N-quinolin-8-ylbenzenesulfonamide;2-chloro-N-quinolin-8-ylbenzenesulfonamide;2-methyl-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide has a molecular weight of 1887.66 g/mol, XLogP of 18.56, 20 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide;2-amino-4-methoxy-N-quinolin-8-ylbenzenesulfonamide;2-amino-N-quinolin-8-ylbenzenesulfonamide;2-chloro-N-quinolin-8-ylbenzenesulfonamide;2-methyl-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide is sourced from PubChem (CID 159506325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).