3-(1,3-benzothiazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-[[4-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]methanimidamide;5-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-benzimidazol-2-amine;5-[2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]ethyl]pyridin-2-amine;2-[[5-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]amino]ethanol

C107H95Br2F3N38O15S10 — CID 159522452

About 3-(1,3-benzothiazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-[[4-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]methanimidamide;5-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-benzimidazol-2-amine;5-[2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]ethyl]pyridin-2-amine;2-[[5-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]amino]ethanol

3-(1,3-benzothiazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-[[4-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]methanimidamide;5-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-benzimidazol-2-amine;5-[2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]ethyl]pyridin-2-amine;2-[[5-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]amino]ethanol (PubChem CID 159522452) has the molecular formula C107H95Br2F3N38O15S10 and a molecular weight of 2690.66 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-[[4-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]methanimidamide;5-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-benzimidazol-2-amine;5-[2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]ethyl]pyridin-2-amine;2-[[5-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]amino]ethanol.

Molecular Properties

• Compound Name: 3-(1,3-benzothiazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-[[4-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]methanimidamide;5-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-benzimidazol-2-amine;5-[2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]ethyl]pyridin-2-amine;2-[[5-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]amino]ethanol
• PubChem CID: 159522452
• Molecular Formula: C107H95Br2F3N38O15S10
• Molecular Weight: 2690.66 g/mol
• Exact Mass: 2686.34
• IUPAC Name: 3-(1,3-benzothiazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-[[4-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]methanimidamide;5-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-benzimidazol-2-amine;5-[2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]ethyl]pyridin-2-amine;2-[[5-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]amino]ethanol
• SMILES: CS(=O)(=O)c1c(Br)ccc(-c2ccc(C/N=C/N)cc2)c1C1=NCN=N1.CS(=O)(=O)c1c(Br)ccc(-c2cnc(N)s2)c1C1=NCN=N1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cccc3sc(N)nc23)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(NCCO)nc2)c1C1=NCN=N1.CS(=O)(=O)c1cccc(-c2cccc3[nH]c(N)nc23)c1C1=NCN=N1.CS(=O)(=O)c1cccc(CCc2ccc(N)nc2)c1C1=NCN=N1.NS(=O)(=O)c1cccc(-c2cccc3scnc23)c1-c1nn[nH]n1
• InChI: InChI=1S/C17H16BrN5O2S.C16H11F3N6O2S2.C16H14N6O2S.C16H17N5O3S.C16H17N5O2S.C14H10N6O2S2.C12H10BrN5O2S2/c1-26(24,25)16-14(18)7-6-13(15(16)17-21-10-22-23-17)12-4-2-11(3-5-12)8-20-9-19;1-29(26,27)13-9(16(17,18)19)6-5-7(11(13)14-22-24-25-23-14)8-3-2-4-10-12(8)21-15(20)28-10;1-25(23,24)12-7-3-4-9(13(12)15-18-8-19-22-15)10-5-2-6-11-14(10)21-16(17)20-11;1-25(23,24)13-4-2-3-12(15(13)16-19-10-20-21-16)11-5-6-14(18-9-11)17-7-8-22;1-24(22,23)13-4-2-3-12(15(13)16-19-10-20-21-16)7-5-11-6-8-14(17)18-9-11;15-24(21,22)11-6-2-3-8(12(11)14-17-19-20-18-14)9-4-1-5-10-13(9)16-7-23-10;1-22(19,20)10-7(13)3-2-6(8-4-15-12(14)21-8)9(10)11-16-5-17-18-11/h2-7,9H,8,10H2,1H3,(H2,19,20);2-6H,1H3,(H2,20,21)(H,22,23,24,25);2-7H,8H2,1H3,(H3,17,20,21);2-6,9,22H,7-8,10H2,1H3,(H,17,18);2-4,6,8-9H,5,7,10H2,1H3,(H2,17,18);1-7H,(H2,15,21,22)(H,17,18,19,20);2-4H,5H2,1H3,(H2,14,15)
• InChIKey: MBYZOBWCSRGVDJ-UHFFFAOYSA-N
• XLogP: 16.98
• TPSA: 827.17 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 51
• Rotatable Bonds: 28
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2690.66
LogP ≤ 5	16.98
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-[[4-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]methanimidamide;5-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-benzimidazol-2-amine;5-[2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]ethyl]pyridin-2-amine;2-[[5-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]amino]ethanol?

The IUPAC name of 3-(1,3-benzothiazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-[[4-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]methanimidamide;5-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-benzimidazol-2-amine;5-[2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]ethyl]pyridin-2-amine;2-[[5-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]amino]ethanol (CID 159522452) is 3-(1,3-benzothiazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-[[4-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]methanimidamide;5-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-benzimidazol-2-amine;5-[2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]ethyl]pyridin-2-amine;2-[[5-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]amino]ethanol.

What is the SMILES notation for 3-(1,3-benzothiazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-[[4-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]methanimidamide;5-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-benzimidazol-2-amine;5-[2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]ethyl]pyridin-2-amine;2-[[5-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]amino]ethanol?

The canonical SMILES for 3-(1,3-benzothiazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-[[4-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]methanimidamide;5-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-benzimidazol-2-amine;5-[2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]ethyl]pyridin-2-amine;2-[[5-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]amino]ethanol is CS(=O)(=O)c1c(Br)ccc(-c2ccc(C/N=C/N)cc2)c1C1=NCN=N1.CS(=O)(=O)c1c(Br)ccc(-c2cnc(N)s2)c1C1=NCN=N1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cccc3sc(N)nc23)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(NCCO)nc2)c1C1=NCN=N1.CS(=O)(=O)c1cccc(-c2cccc3[nH]c(N)nc23)c1C1=NCN=N1.CS(=O)(=O)c1cccc(CCc2ccc(N)nc2)c1C1=NCN=N1.NS(=O)(=O)c1cccc(-c2cccc3scnc23)c1-c1nn[nH]n1.

What is the InChIKey of 3-(1,3-benzothiazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-[[4-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]methanimidamide;5-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-benzimidazol-2-amine;5-[2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]ethyl]pyridin-2-amine;2-[[5-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]amino]ethanol?

The InChIKey is MBYZOBWCSRGVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O2S.C16H11F3N6O2S2.C16H14N6O2S.C16H17N5O3S.C16H17N5O2S.C14H10N6O2S2.C12H10BrN5O2S2/c1-26(24,25)16-14(18)7-6-13(15(16)17-21-10-22-23-17)12-4-2-11(3-5-12)8-20-9-19;1-29(26,27)13-9(16(17,18)19)6-5-7(11(13)14-22-24-25-23-14)8-3-2-4-10-12(8)21-15(20)28-10;1-25(23,24)12-7-3-4-9(13(12)15-18-8-19-22-15)10-5-2-6-11-14(10)21-16(17)20-11;1-25(23,24)13-4-2-3-12(15(13)16-19-10-20-21-16)11-5-6-14(18-9-11)17-7-8-22;1-24(22,23)13-4-2-3-12(15(13)16-19-10-20-21-16)7-5-11-6-8-14(17)18-9-11;15-24(21,22)11-6-2-3-8(12(11)14-17-19-20-18-14)9-4-1-5-10-13(9)16-7-23-10;1-22(19,20)10-7(13)3-2-6(8-4-15-12(14)21-8)9(10)11-16-5-17-18-11/h2-7,9H,8,10H2,1H3,(H2,19,20);2-6H,1H3,(H2,20,21)(H,22,23,24,25);2-7H,8H2,1H3,(H3,17,20,21);2-6,9,22H,7-8,10H2,1H3,(H,17,18);2-4,6,8-9H,5,7,10H2,1H3,(H2,17,18);1-7H,(H2,15,21,22)(H,17,18,19,20);2-4H,5H2,1H3,(H2,14,15).

What are the key properties of 3-(1,3-benzothiazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-[[4-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]methanimidamide;5-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-benzimidazol-2-amine;5-[2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]ethyl]pyridin-2-amine;2-[[5-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]amino]ethanol?

3-(1,3-benzothiazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-[[4-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]methanimidamide;5-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-benzimidazol-2-amine;5-[2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]ethyl]pyridin-2-amine;2-[[5-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]amino]ethanol has a molecular weight of 2690.66 g/mol, XLogP of 16.98, 28 rotatable bonds, 11 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzothiazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-[[4-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]methanimidamide;5-[4-bromo-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-benzimidazol-2-amine;5-[2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]ethyl]pyridin-2-amine;2-[[5-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 159522452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).