4-(1,1-difluoroethoxy)-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;N-(5-fluoro-2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide

C102H97F3N28O13S10 — CID 159292222

About 4-(1,1-difluoroethoxy)-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;N-(5-fluoro-2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide

4-(1,1-difluoroethoxy)-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;N-(5-fluoro-2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 159292222) has the molecular formula C102H97F3N28O13S10 and a molecular weight of 2300.74 g/mol. Its IUPAC name is 4-(1,1-difluoroethoxy)-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;N-(5-fluoro-2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-(1,1-difluoroethoxy)-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;N-(5-fluoro-2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide
• PubChem CID: 159292222
• Molecular Formula: C102H97F3N28O13S10
• Molecular Weight: 2300.74 g/mol
• Exact Mass: 2298.49
• IUPAC Name: 4-(1,1-difluoroethoxy)-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;N-(5-fluoro-2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide
• SMILES: CC(C)Cc1ccc(S(N)(=O)=O)cc1Nc1nc2c(ccc3ncn(C)c32)s1.CCn1c(C)nc2ccc3sc(Nc4cc(S(N)(=O)=O)ccc4OC)nc3c21.COc1ccc(F)cc1Nc1nc2c(ccc3ncn(C)c32)s1.COc1ccc(S(N)(=O)=O)cc1Nc1nc2c(ccc3ncn(C)c32)s1.COc1ccccc1Nc1nc2c(ccc3ncn(C)c32)s1.Cn1cnc2ccc3sc(Nc4cc(S(N)(=O)=O)ccc4OC(C)(F)F)nc3c21
• InChI: InChI=1S/C19H21N5O2S2.C18H19N5O3S2.C17H15F2N5O3S2.C16H13FN4OS.C16H15N5O3S2.C16H14N4OS/c1-11(2)8-12-4-5-13(28(20,25)26)9-15(12)22-19-23-17-16(27-19)7-6-14-18(17)24(3)10-21-14;1-4-23-10(2)20-12-6-8-15-16(17(12)23)22-18(27-15)21-13-9-11(28(19,24)25)5-7-14(13)26-3;1-17(18,19)27-12-5-3-9(29(20,25)26)7-11(12)22-16-23-14-13(28-16)6-4-10-15(14)24(2)8-21-10;1-21-8-18-10-4-6-13-14(15(10)21)20-16(23-13)19-11-7-9(17)3-5-12(11)22-2;1-21-8-18-10-4-6-13-14(15(10)21)20-16(25-13)19-11-7-9(26(17,22)23)3-5-12(11)24-2;1-20-9-17-11-7-8-13-14(15(11)20)19-16(22-13)18-10-5-3-4-6-12(10)21-2/h4-7,9-11H,8H2,1-3H3,(H,22,23)(H2,20,25,26);5-9H,4H2,1-3H3,(H,21,22)(H2,19,24,25);3-8H,1-2H3,(H,22,23)(H2,20,25,26);3-8H,1-2H3,(H,19,20);3-8H,1-2H3,(H,19,20)(H2,17,22,23);3-9H,1-2H3,(H,18,19)
• InChIKey: LAGQLDRLGNRVMP-UHFFFAOYSA-N
• XLogP: 21.30
• TPSA: 543.23 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 43
• Rotatable Bonds: 25
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2300.74
LogP ≤ 5	21.30
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethoxy)-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;N-(5-fluoro-2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide?

The IUPAC name of 4-(1,1-difluoroethoxy)-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;N-(5-fluoro-2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide (CID 159292222) is 4-(1,1-difluoroethoxy)-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;N-(5-fluoro-2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide.

What is the SMILES notation for 4-(1,1-difluoroethoxy)-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;N-(5-fluoro-2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide?

The canonical SMILES for 4-(1,1-difluoroethoxy)-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;N-(5-fluoro-2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide is CC(C)Cc1ccc(S(N)(=O)=O)cc1Nc1nc2c(ccc3ncn(C)c32)s1.CCn1c(C)nc2ccc3sc(Nc4cc(S(N)(=O)=O)ccc4OC)nc3c21.COc1ccc(F)cc1Nc1nc2c(ccc3ncn(C)c32)s1.COc1ccc(S(N)(=O)=O)cc1Nc1nc2c(ccc3ncn(C)c32)s1.COc1ccccc1Nc1nc2c(ccc3ncn(C)c32)s1.Cn1cnc2ccc3sc(Nc4cc(S(N)(=O)=O)ccc4OC(C)(F)F)nc3c21.

What is the InChIKey of 4-(1,1-difluoroethoxy)-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;N-(5-fluoro-2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide?

The InChIKey is LAGQLDRLGNRVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S2.C18H19N5O3S2.C17H15F2N5O3S2.C16H13FN4OS.C16H15N5O3S2.C16H14N4OS/c1-11(2)8-12-4-5-13(28(20,25)26)9-15(12)22-19-23-17-16(27-19)7-6-14-18(17)24(3)10-21-14;1-4-23-10(2)20-12-6-8-15-16(17(12)23)22-18(27-15)21-13-9-11(28(19,24)25)5-7-14(13)26-3;1-17(18,19)27-12-5-3-9(29(20,25)26)7-11(12)22-16-23-14-13(28-16)6-4-10-15(14)24(2)8-21-10;1-21-8-18-10-4-6-13-14(15(10)21)20-16(23-13)19-11-7-9(17)3-5-12(11)22-2;1-21-8-18-10-4-6-13-14(15(10)21)20-16(25-13)19-11-7-9(26(17,22)23)3-5-12(11)24-2;1-20-9-17-11-7-8-13-14(15(11)20)19-16(22-13)18-10-5-3-4-6-12(10)21-2/h4-7,9-11H,8H2,1-3H3,(H,22,23)(H2,20,25,26);5-9H,4H2,1-3H3,(H,21,22)(H2,19,24,25);3-8H,1-2H3,(H,22,23)(H2,20,25,26);3-8H,1-2H3,(H,19,20);3-8H,1-2H3,(H,19,20)(H2,17,22,23);3-9H,1-2H3,(H,18,19).

What are the key properties of 4-(1,1-difluoroethoxy)-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;N-(5-fluoro-2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide?

4-(1,1-difluoroethoxy)-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;N-(5-fluoro-2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 2300.74 g/mol, XLogP of 21.30, 25 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,1-difluoroethoxy)-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;N-(5-fluoro-2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 159292222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).