N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzenesulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2,2-difluoropropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]propane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]thiophene-2-sulfonamide

C100H104F2N20O20S6 — CID 157387662

IUPACN-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzenesulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2,2-difluoropropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]propane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]thiophene-2-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1.COc1cc2ncnc(Nc3ccc(NS(=O)(=O)CC(C)(F)F)cc3)c2cc1OC.COc1cc2ncnc(Nc3ccc(NS(=O)(=O)CC(C)C)cc3)c2cc1OC.COc1cc2ncnc(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2cc1OC.COc1cc2ncnc(Nc3ccc(NS(=O)(=O)c4cccs4)cc3)c2cc1OC
InChIInChI=1S/C22H20N4O4S.C20H18N4O4S2.C20H24N4O4S.C19H20F2N4O4S.C19H22N4O4S/c1-29-20-12-18-19(13-21(20)30-2)23-14-24-22(18)25-15-8-10-16(11-9-15)26-31(27,28)17-6-4-3-5-7-17;1-27-17-10-15-16(11-18(17)28-2)21-12-22-20(15)23-13-5-7-14(8-6-13)24-30(25,26)19-4-3-9-29-19;1-13(2)11-29(25,26)24-15-7-5-14(6-8-15)23-20-16-9-18(27-3)19(28-4)10-17(16)21-12-22-20;1-19(20,21)10-30(26,27)25-13-6-4-12(5-7-13)24-18-14-8-16(28-2)17(29-3)9-15(14)22-11-23-18;1-4-9-28(24,25)23-14-7-5-13(6-8-14)22-19-15-10-17(26-2)18(27-3)11-16(15)20-12-21-19/h3-14,26H,1-2H3,(H,23,24,25);3-12,24H,1-2H3,(H,21,22,23);5-10,12-13,24H,11H2,1-4H3,(H,21,22,23);4-9,11,25H,10H2,1-3H3,(H,22,23,24);5-8,10-12,23H,4,9H2,1-3H3,(H,20,21,22)
InChIKeyBLPTXLZCNIRBRH-UHFFFAOYSA-N
MW2136.45 g/mol
LogP19.56
Rot. Bonds38

About N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzenesulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2,2-difluoropropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]propane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]thiophene-2-sulfonamide

N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzenesulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2,2-difluoropropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]propane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]thiophene-2-sulfonamide (PubChem CID 157387662) has the molecular formula C100H104F2N20O20S6 and a molecular weight of 2136.45 g/mol. Its IUPAC name is N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzenesulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2,2-difluoropropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]propane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzenesulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2,2-difluoropropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]propane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]thiophene-2-sulfonamide
PubChem CID157387662
Molecular FormulaC100H104F2N20O20S6
Molecular Weight2136.45 g/mol
Exact Mass2134.60
IUPAC NameN-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzenesulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2,2-difluoropropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]propane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]thiophene-2-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1.COc1cc2ncnc(Nc3ccc(NS(=O)(=O)CC(C)(F)F)cc3)c2cc1OC.COc1cc2ncnc(Nc3ccc(NS(=O)(=O)CC(C)C)cc3)c2cc1OC.COc1cc2ncnc(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2cc1OC.COc1cc2ncnc(Nc3ccc(NS(=O)(=O)c4cccs4)cc3)c2cc1OC
InChIInChI=1S/C22H20N4O4S.C20H18N4O4S2.C20H24N4O4S.C19H20F2N4O4S.C19H22N4O4S/c1-29-20-12-18-19(13-21(20)30-2)23-14-24-22(18)25-15-8-10-16(11-9-15)26-31(27,28)17-6-4-3-5-7-17;1-27-17-10-15-16(11-18(17)28-2)21-12-22-20(15)23-13-5-7-14(8-6-13)24-30(25,26)19-4-3-9-29-19;1-13(2)11-29(25,26)24-15-7-5-14(6-8-15)23-20-16-9-18(27-3)19(28-4)10-17(16)21-12-22-20;1-19(20,21)10-30(26,27)25-13-6-4-12(5-7-13)24-18-14-8-16(28-2)17(29-3)9-15(14)22-11-23-18;1-4-9-28(24,25)23-14-7-5-13(6-8-14)22-19-15-10-17(26-2)18(27-3)11-16(15)20-12-21-19/h3-14,26H,1-2H3,(H,23,24,25);3-12,24H,1-2H3,(H,21,22,23);5-10,12-13,24H,11H2,1-4H3,(H,21,22,23);4-9,11,25H,10H2,1-3H3,(H,22,23,24);5-8,10-12,23H,4,9H2,1-3H3,(H,20,21,22)
InChIKeyBLPTXLZCNIRBRH-UHFFFAOYSA-N
XLogP19.56
TPSA512.20 Ų
H-Bond Donors10
H-Bond Acceptors36
Rotatable Bonds38
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002136.45
LogP ≤ 519.56
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1036

Analyze N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzenesulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2,2-difluoropropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]propane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]thiophene-2-sulfonamide 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 N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzenesulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2,2-difluoropropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]propane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzenesulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2,2-difluoropropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]propane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]thiophene-2-sulfonamide (CID 157387662) is N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzenesulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2,2-difluoropropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]propane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzenesulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2,2-difluoropropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]propane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzenesulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2,2-difluoropropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]propane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]thiophene-2-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1.COc1cc2ncnc(Nc3ccc(NS(=O)(=O)CC(C)(F)F)cc3)c2cc1OC.COc1cc2ncnc(Nc3ccc(NS(=O)(=O)CC(C)C)cc3)c2cc1OC.COc1cc2ncnc(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2cc1OC.COc1cc2ncnc(Nc3ccc(NS(=O)(=O)c4cccs4)cc3)c2cc1OC.
What is the InChIKey of N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzenesulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2,2-difluoropropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]propane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]thiophene-2-sulfonamide?
The InChIKey is BLPTXLZCNIRBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S.C20H18N4O4S2.C20H24N4O4S.C19H20F2N4O4S.C19H22N4O4S/c1-29-20-12-18-19(13-21(20)30-2)23-14-24-22(18)25-15-8-10-16(11-9-15)26-31(27,28)17-6-4-3-5-7-17;1-27-17-10-15-16(11-18(17)28-2)21-12-22-20(15)23-13-5-7-14(8-6-13)24-30(25,26)19-4-3-9-29-19;1-13(2)11-29(25,26)24-15-7-5-14(6-8-15)23-20-16-9-18(27-3)19(28-4)10-17(16)21-12-22-20;1-19(20,21)10-30(26,27)25-13-6-4-12(5-7-13)24-18-14-8-16(28-2)17(29-3)9-15(14)22-11-23-18;1-4-9-28(24,25)23-14-7-5-13(6-8-14)22-19-15-10-17(26-2)18(27-3)11-16(15)20-12-21-19/h3-14,26H,1-2H3,(H,23,24,25);3-12,24H,1-2H3,(H,21,22,23);5-10,12-13,24H,11H2,1-4H3,(H,21,22,23);4-9,11,25H,10H2,1-3H3,(H,22,23,24);5-8,10-12,23H,4,9H2,1-3H3,(H,20,21,22).
What are the key properties of N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzenesulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2,2-difluoropropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]propane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]thiophene-2-sulfonamide?
N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzenesulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2,2-difluoropropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]propane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]thiophene-2-sulfonamide has a molecular weight of 2136.45 g/mol, XLogP of 19.56, 38 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzenesulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2,2-difluoropropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]propane-1-sulfonamide;N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 157387662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).