4-tert-butyl-N-quinolin-8-ylbenzenesulfonamide;3-fluoro-4-methyl-N-quinolin-8-ylbenzenesulfonamide;4-fluoro-N-quinolin-8-ylbenzenesulfonamide;4-methoxy-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide;2,4,5-trichloro-N-quinolin-8-ylbenzenesulfonamide

C97H81Cl3F2N12O13S6 — CID 158658597

IUPAC4-tert-butyl-N-quinolin-8-ylbenzenesulfonamide;3-fluoro-4-methyl-N-quinolin-8-ylbenzenesulfonamide;4-fluoro-N-quinolin-8-ylbenzenesulfonamide;4-methoxy-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide;2,4,5-trichloro-N-quinolin-8-ylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1.COc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1.Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1.Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1F.O=S(=O)(Nc1cccc2cccnc12)c1cc(Cl)c(Cl)cc1Cl.O=S(=O)(Nc1cccc2cccnc12)c1ccc(F)cc1
InChIInChI=1S/C19H20N2O2S.C16H13FN2O2S.C16H14N2O3S.C16H14N2O2S.C15H9Cl3N2O2S.C15H11FN2O2S/c1-19(2,3)15-9-11-16(12-10-15)24(22,23)21-17-8-4-6-14-7-5-13-20-18(14)17;1-11-7-8-13(10-14(11)17)22(20,21)19-15-6-2-4-12-5-3-9-18-16(12)15;1-21-13-7-9-14(10-8-13)22(19,20)18-15-6-2-4-12-5-3-11-17-16(12)15;1-12-7-9-14(10-8-12)21(19,20)18-15-6-2-4-13-5-3-11-17-16(13)15;16-10-7-12(18)14(8-11(10)17)23(21,22)20-13-5-1-3-9-4-2-6-19-15(9)13;16-12-6-8-13(9-7-12)21(19,20)18-14-5-1-3-11-4-2-10-17-15(11)14/h4-13,21H,1-3H3;2-10,19H,1H3;2-11,18H,1H3;2-11,18H,1H3;1-8,20H;1-10,18H
InChIKeyICLVFVIKUQNBTE-UHFFFAOYSA-N
MW1959.54 g/mol
LogP22.37
Rot. Bonds19

About 4-tert-butyl-N-quinolin-8-ylbenzenesulfonamide;3-fluoro-4-methyl-N-quinolin-8-ylbenzenesulfonamide;4-fluoro-N-quinolin-8-ylbenzenesulfonamide;4-methoxy-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide;2,4,5-trichloro-N-quinolin-8-ylbenzenesulfonamide

4-tert-butyl-N-quinolin-8-ylbenzenesulfonamide;3-fluoro-4-methyl-N-quinolin-8-ylbenzenesulfonamide;4-fluoro-N-quinolin-8-ylbenzenesulfonamide;4-methoxy-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide;2,4,5-trichloro-N-quinolin-8-ylbenzenesulfonamide (PubChem CID 158658597) has the molecular formula C97H81Cl3F2N12O13S6 and a molecular weight of 1959.54 g/mol. Its IUPAC name is 4-tert-butyl-N-quinolin-8-ylbenzenesulfonamide;3-fluoro-4-methyl-N-quinolin-8-ylbenzenesulfonamide;4-fluoro-N-quinolin-8-ylbenzenesulfonamide;4-methoxy-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide;2,4,5-trichloro-N-quinolin-8-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-quinolin-8-ylbenzenesulfonamide;3-fluoro-4-methyl-N-quinolin-8-ylbenzenesulfonamide;4-fluoro-N-quinolin-8-ylbenzenesulfonamide;4-methoxy-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide;2,4,5-trichloro-N-quinolin-8-ylbenzenesulfonamide
PubChem CID158658597
Molecular FormulaC97H81Cl3F2N12O13S6
Molecular Weight1959.54 g/mol
Exact Mass1956.34
IUPAC Name4-tert-butyl-N-quinolin-8-ylbenzenesulfonamide;3-fluoro-4-methyl-N-quinolin-8-ylbenzenesulfonamide;4-fluoro-N-quinolin-8-ylbenzenesulfonamide;4-methoxy-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide;2,4,5-trichloro-N-quinolin-8-ylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1.COc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1.Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1.Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1F.O=S(=O)(Nc1cccc2cccnc12)c1cc(Cl)c(Cl)cc1Cl.O=S(=O)(Nc1cccc2cccnc12)c1ccc(F)cc1
InChIInChI=1S/C19H20N2O2S.C16H13FN2O2S.C16H14N2O3S.C16H14N2O2S.C15H9Cl3N2O2S.C15H11FN2O2S/c1-19(2,3)15-9-11-16(12-10-15)24(22,23)21-17-8-4-6-14-7-5-13-20-18(14)17;1-11-7-8-13(10-14(11)17)22(20,21)19-15-6-2-4-12-5-3-9-18-16(12)15;1-21-13-7-9-14(10-8-13)22(19,20)18-15-6-2-4-12-5-3-11-17-16(12)15;1-12-7-9-14(10-8-12)21(19,20)18-15-6-2-4-13-5-3-11-17-16(13)15;16-10-7-12(18)14(8-11(10)17)23(21,22)20-13-5-1-3-9-4-2-6-19-15(9)13;16-12-6-8-13(9-7-12)21(19,20)18-14-5-1-3-11-4-2-10-17-15(11)14/h4-13,21H,1-3H3;2-10,19H,1H3;2-11,18H,1H3;2-11,18H,1H3;1-8,20H;1-10,18H
InChIKeyICLVFVIKUQNBTE-UHFFFAOYSA-N
XLogP22.37
TPSA363.59 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001959.54
LogP ≤ 522.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-tert-butyl-N-quinolin-8-ylbenzenesulfonamide;3-fluoro-4-methyl-N-quinolin-8-ylbenzenesulfonamide;4-fluoro-N-quinolin-8-ylbenzenesulfonamide;4-methoxy-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide;2,4,5-trichloro-N-quinolin-8-ylbenzenesulfonamide 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 4-tert-butyl-N-quinolin-8-ylbenzenesulfonamide;3-fluoro-4-methyl-N-quinolin-8-ylbenzenesulfonamide;4-fluoro-N-quinolin-8-ylbenzenesulfonamide;4-methoxy-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide;2,4,5-trichloro-N-quinolin-8-ylbenzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-quinolin-8-ylbenzenesulfonamide;3-fluoro-4-methyl-N-quinolin-8-ylbenzenesulfonamide;4-fluoro-N-quinolin-8-ylbenzenesulfonamide;4-methoxy-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide;2,4,5-trichloro-N-quinolin-8-ylbenzenesulfonamide (CID 158658597) is 4-tert-butyl-N-quinolin-8-ylbenzenesulfonamide;3-fluoro-4-methyl-N-quinolin-8-ylbenzenesulfonamide;4-fluoro-N-quinolin-8-ylbenzenesulfonamide;4-methoxy-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide;2,4,5-trichloro-N-quinolin-8-ylbenzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-quinolin-8-ylbenzenesulfonamide;3-fluoro-4-methyl-N-quinolin-8-ylbenzenesulfonamide;4-fluoro-N-quinolin-8-ylbenzenesulfonamide;4-methoxy-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide;2,4,5-trichloro-N-quinolin-8-ylbenzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-quinolin-8-ylbenzenesulfonamide;3-fluoro-4-methyl-N-quinolin-8-ylbenzenesulfonamide;4-fluoro-N-quinolin-8-ylbenzenesulfonamide;4-methoxy-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide;2,4,5-trichloro-N-quinolin-8-ylbenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1.COc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1.Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1.Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1F.O=S(=O)(Nc1cccc2cccnc12)c1cc(Cl)c(Cl)cc1Cl.O=S(=O)(Nc1cccc2cccnc12)c1ccc(F)cc1.
What is the InChIKey of 4-tert-butyl-N-quinolin-8-ylbenzenesulfonamide;3-fluoro-4-methyl-N-quinolin-8-ylbenzenesulfonamide;4-fluoro-N-quinolin-8-ylbenzenesulfonamide;4-methoxy-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide;2,4,5-trichloro-N-quinolin-8-ylbenzenesulfonamide?
The InChIKey is ICLVFVIKUQNBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S.C16H13FN2O2S.C16H14N2O3S.C16H14N2O2S.C15H9Cl3N2O2S.C15H11FN2O2S/c1-19(2,3)15-9-11-16(12-10-15)24(22,23)21-17-8-4-6-14-7-5-13-20-18(14)17;1-11-7-8-13(10-14(11)17)22(20,21)19-15-6-2-4-12-5-3-9-18-16(12)15;1-21-13-7-9-14(10-8-13)22(19,20)18-15-6-2-4-12-5-3-11-17-16(12)15;1-12-7-9-14(10-8-12)21(19,20)18-15-6-2-4-13-5-3-11-17-16(13)15;16-10-7-12(18)14(8-11(10)17)23(21,22)20-13-5-1-3-9-4-2-6-19-15(9)13;16-12-6-8-13(9-7-12)21(19,20)18-14-5-1-3-11-4-2-10-17-15(11)14/h4-13,21H,1-3H3;2-10,19H,1H3;2-11,18H,1H3;2-11,18H,1H3;1-8,20H;1-10,18H.
What are the key properties of 4-tert-butyl-N-quinolin-8-ylbenzenesulfonamide;3-fluoro-4-methyl-N-quinolin-8-ylbenzenesulfonamide;4-fluoro-N-quinolin-8-ylbenzenesulfonamide;4-methoxy-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide;2,4,5-trichloro-N-quinolin-8-ylbenzenesulfonamide?
4-tert-butyl-N-quinolin-8-ylbenzenesulfonamide;3-fluoro-4-methyl-N-quinolin-8-ylbenzenesulfonamide;4-fluoro-N-quinolin-8-ylbenzenesulfonamide;4-methoxy-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide;2,4,5-trichloro-N-quinolin-8-ylbenzenesulfonamide has a molecular weight of 1959.54 g/mol, XLogP of 22.37, 19 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-quinolin-8-ylbenzenesulfonamide;3-fluoro-4-methyl-N-quinolin-8-ylbenzenesulfonamide;4-fluoro-N-quinolin-8-ylbenzenesulfonamide;4-methoxy-N-quinolin-8-ylbenzenesulfonamide;4-methyl-N-quinolin-8-ylbenzenesulfonamide;2,4,5-trichloro-N-quinolin-8-ylbenzenesulfonamide is sourced from PubChem (CID 158658597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).