4-amino-N-(4-fluorophenyl)benzenesulfonamide;4-amino-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]piperazine-1-carbothioamide;4-fluoroaniline;N-(4-fluorophenyl)-4-nitrobenzenesulfonamide;bis(4-nitrobenzenesulfonyl chloride);4-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(trifluoromethyl)aniline

C105H88Cl2F15N19O24S8 — CID 158061040

About 4-amino-N-(4-fluorophenyl)benzenesulfonamide;4-amino-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]piperazine-1-carbothioamide;4-fluoroaniline;N-(4-fluorophenyl)-4-nitrobenzenesulfonamide;bis(4-nitrobenzenesulfonyl chloride);4-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(trifluoromethyl)aniline

4-amino-N-(4-fluorophenyl)benzenesulfonamide;4-amino-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]piperazine-1-carbothioamide;4-fluoroaniline;N-(4-fluorophenyl)-4-nitrobenzenesulfonamide;bis(4-nitrobenzenesulfonyl chloride);4-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(trifluoromethyl)aniline (PubChem CID 158061040) has the molecular formula C105H88Cl2F15N19O24S8 and a molecular weight of 2612.38 g/mol. Its IUPAC name is 4-amino-N-(4-fluorophenyl)benzenesulfonamide;4-amino-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]piperazine-1-carbothioamide;4-fluoroaniline;N-(4-fluorophenyl)-4-nitrobenzenesulfonamide;bis(4-nitrobenzenesulfonyl chloride);4-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(trifluoromethyl)aniline.

Molecular Properties

• Compound Name: 4-amino-N-(4-fluorophenyl)benzenesulfonamide;4-amino-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]piperazine-1-carbothioamide;4-fluoroaniline;N-(4-fluorophenyl)-4-nitrobenzenesulfonamide;bis(4-nitrobenzenesulfonyl chloride);4-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(trifluoromethyl)aniline
• PubChem CID: 158061040
• Molecular Formula: C105H88Cl2F15N19O24S8
• Molecular Weight: 2612.38 g/mol
• Exact Mass: 2609.32
• IUPAC Name: 4-amino-N-(4-fluorophenyl)benzenesulfonamide;4-amino-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]piperazine-1-carbothioamide;4-fluoroaniline;N-(4-fluorophenyl)-4-nitrobenzenesulfonamide;bis(4-nitrobenzenesulfonyl chloride);4-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(trifluoromethyl)aniline
• SMILES: COc1cc2[nH]c3ncnc(N4CCN(C(=S)Nc5ccc(S(=O)(=O)Nc6ccc(C(F)(F)F)cc6)cc5)CC4)c3c2cc1OC.Nc1ccc(C(F)(F)F)cc1.Nc1ccc(F)cc1.Nc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1.Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1.O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1.O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1.O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1.O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
• InChI: InChI=1S/C30H28F3N7O4S2.C13H9F3N2O4S.C13H11F3N2O2S.C12H9FN2O4S.C12H11FN2O2S.C7H6F3N.2C6H4ClNO4S.C6H6FN/c1-43-24-15-22-23(16-25(24)44-2)37-27-26(22)28(35-17-34-27)39-11-13-40(14-12-39)29(45)36-19-7-9-21(10-8-19)46(41,42)38-20-5-3-18(4-6-20)30(31,32)33;14-13(15,16)9-1-3-10(4-2-9)17-23(21,22)12-7-5-11(6-8-12)18(19)20;14-13(15,16)9-1-5-11(6-2-9)18-21(19,20)12-7-3-10(17)4-8-12;13-9-1-3-10(4-2-9)14-20(18,19)12-7-5-11(6-8-12)15(16)17;13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12;8-7(9,10)5-1-3-6(11)4-2-5;2*7-13(11,12)6-3-1-5(2-4-6)8(9)10;7-5-1-3-6(8)4-2-5/h3-10,15-17,38H,11-14H2,1-2H3,(H,36,45)(H,34,35,37);1-8,17H;1-8,18H,17H2;1-8,14H;1-8,15H,14H2;1-4H,11H2;2*1-4H;1-4H,8H2
• InChIKey: FKQKNMUZIGDXKC-UHFFFAOYSA-N
• XLogP: 23.45
• TPSA: 654.31 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 32
• Rotatable Bonds: 25
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2612.38
LogP ≤ 5	23.45
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-fluorophenyl)benzenesulfonamide;4-amino-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]piperazine-1-carbothioamide;4-fluoroaniline;N-(4-fluorophenyl)-4-nitrobenzenesulfonamide;bis(4-nitrobenzenesulfonyl chloride);4-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(trifluoromethyl)aniline?

The IUPAC name of 4-amino-N-(4-fluorophenyl)benzenesulfonamide;4-amino-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]piperazine-1-carbothioamide;4-fluoroaniline;N-(4-fluorophenyl)-4-nitrobenzenesulfonamide;bis(4-nitrobenzenesulfonyl chloride);4-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(trifluoromethyl)aniline (CID 158061040) is 4-amino-N-(4-fluorophenyl)benzenesulfonamide;4-amino-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]piperazine-1-carbothioamide;4-fluoroaniline;N-(4-fluorophenyl)-4-nitrobenzenesulfonamide;bis(4-nitrobenzenesulfonyl chloride);4-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(trifluoromethyl)aniline.

What is the SMILES notation for 4-amino-N-(4-fluorophenyl)benzenesulfonamide;4-amino-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]piperazine-1-carbothioamide;4-fluoroaniline;N-(4-fluorophenyl)-4-nitrobenzenesulfonamide;bis(4-nitrobenzenesulfonyl chloride);4-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(trifluoromethyl)aniline?

The canonical SMILES for 4-amino-N-(4-fluorophenyl)benzenesulfonamide;4-amino-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]piperazine-1-carbothioamide;4-fluoroaniline;N-(4-fluorophenyl)-4-nitrobenzenesulfonamide;bis(4-nitrobenzenesulfonyl chloride);4-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(trifluoromethyl)aniline is COc1cc2[nH]c3ncnc(N4CCN(C(=S)Nc5ccc(S(=O)(=O)Nc6ccc(C(F)(F)F)cc6)cc5)CC4)c3c2cc1OC.Nc1ccc(C(F)(F)F)cc1.Nc1ccc(F)cc1.Nc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1.Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1.O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1.O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1.O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1.O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1.

What is the InChIKey of 4-amino-N-(4-fluorophenyl)benzenesulfonamide;4-amino-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]piperazine-1-carbothioamide;4-fluoroaniline;N-(4-fluorophenyl)-4-nitrobenzenesulfonamide;bis(4-nitrobenzenesulfonyl chloride);4-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(trifluoromethyl)aniline?

The InChIKey is FKQKNMUZIGDXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N7O4S2.C13H9F3N2O4S.C13H11F3N2O2S.C12H9FN2O4S.C12H11FN2O2S.C7H6F3N.2C6H4ClNO4S.C6H6FN/c1-43-24-15-22-23(16-25(24)44-2)37-27-26(22)28(35-17-34-27)39-11-13-40(14-12-39)29(45)36-19-7-9-21(10-8-19)46(41,42)38-20-5-3-18(4-6-20)30(31,32)33;14-13(15,16)9-1-3-10(4-2-9)17-23(21,22)12-7-5-11(6-8-12)18(19)20;14-13(15,16)9-1-5-11(6-2-9)18-21(19,20)12-7-3-10(17)4-8-12;13-9-1-3-10(4-2-9)14-20(18,19)12-7-5-11(6-8-12)15(16)17;13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12;8-7(9,10)5-1-3-6(11)4-2-5;2*7-13(11,12)6-3-1-5(2-4-6)8(9)10;7-5-1-3-6(8)4-2-5/h3-10,15-17,38H,11-14H2,1-2H3,(H,36,45)(H,34,35,37);1-8,17H;1-8,18H,17H2;1-8,14H;1-8,15H,14H2;1-4H,11H2;2*1-4H;1-4H,8H2.

What are the key properties of 4-amino-N-(4-fluorophenyl)benzenesulfonamide;4-amino-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]piperazine-1-carbothioamide;4-fluoroaniline;N-(4-fluorophenyl)-4-nitrobenzenesulfonamide;bis(4-nitrobenzenesulfonyl chloride);4-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(trifluoromethyl)aniline?

4-amino-N-(4-fluorophenyl)benzenesulfonamide;4-amino-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]piperazine-1-carbothioamide;4-fluoroaniline;N-(4-fluorophenyl)-4-nitrobenzenesulfonamide;bis(4-nitrobenzenesulfonyl chloride);4-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(trifluoromethyl)aniline has a molecular weight of 2612.38 g/mol, XLogP of 23.45, 25 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-(4-fluorophenyl)benzenesulfonamide;4-amino-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]piperazine-1-carbothioamide;4-fluoroaniline;N-(4-fluorophenyl)-4-nitrobenzenesulfonamide;bis(4-nitrobenzenesulfonyl chloride);4-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-(trifluoromethyl)aniline is sourced from PubChem (CID 158061040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).