4-[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;tert-butyl 3-fluoro-4-[[2-[3-(2-methoxy-4-sulfamoylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;4-[3-[4-[(3-fluoro-1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;4-[3-[4-[(3-fluoropiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;2-iodo-1-(2,2,2-trifluoroethyl)indol-4-amine;methanol;3-methoxy-4-(prop-2-ynylamino)benzenesulfonamide;hydrochloride

C132H151ClF19IN24O21S5 — CID 167540467

About 4-[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;tert-butyl 3-fluoro-4-[[2-[3-(2-methoxy-4-sulfamoylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;4-[3-[4-[(3-fluoro-1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;4-[3-[4-[(3-fluoropiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;2-iodo-1-(2,2,2-trifluoroethyl)indol-4-amine;methanol;3-methoxy-4-(prop-2-ynylamino)benzenesulfonamide;hydrochloride

4-[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;tert-butyl 3-fluoro-4-[[2-[3-(2-methoxy-4-sulfamoylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;4-[3-[4-[(3-fluoro-1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;4-[3-[4-[(3-fluoropiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;2-iodo-1-(2,2,2-trifluoroethyl)indol-4-amine;methanol;3-methoxy-4-(prop-2-ynylamino)benzenesulfonamide;hydrochloride (PubChem CID 167540467) has the molecular formula C132H151ClF19IN24O21S5 and a molecular weight of 3093.46 g/mol. Its IUPAC name is 4-[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;tert-butyl 3-fluoro-4-[[2-[3-(2-methoxy-4-sulfamoylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;4-[3-[4-[(3-fluoro-1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;4-[3-[4-[(3-fluoropiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;2-iodo-1-(2,2,2-trifluoroethyl)indol-4-amine;methanol;3-methoxy-4-(prop-2-ynylamino)benzenesulfonamide;hydrochloride.

Molecular Properties

• Compound Name: 4-[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;tert-butyl 3-fluoro-4-[[2-[3-(2-methoxy-4-sulfamoylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;4-[3-[4-[(3-fluoro-1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;4-[3-[4-[(3-fluoropiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;2-iodo-1-(2,2,2-trifluoroethyl)indol-4-amine;methanol;3-methoxy-4-(prop-2-ynylamino)benzenesulfonamide;hydrochloride
• PubChem CID: 167540467
• Molecular Formula: C132H151ClF19IN24O21S5
• Molecular Weight: 3093.46 g/mol
• Exact Mass: 3090.85
• IUPAC Name: 4-[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;tert-butyl 3-fluoro-4-[[2-[3-(2-methoxy-4-sulfamoylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;4-[3-[4-[(3-fluoro-1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;4-[3-[4-[(3-fluoropiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;2-iodo-1-(2,2,2-trifluoroethyl)indol-4-amine;methanol;3-methoxy-4-(prop-2-ynylamino)benzenesulfonamide;hydrochloride
• SMILES: C#CCNc1ccc(S(N)(=O)=O)cc1OC.CC(C)(C)OC(=O)N1CCC(=O)C(F)C1.CO.COc1cc(S(N)(=O)=O)ccc1NCC#Cc1cc2c(N)cccc2n1CC(F)(F)F.COc1cc(S(N)(=O)=O)ccc1NCC#Cc1cc2c(NC3CCN(C(=O)OC(C)(C)C)CC3F)cccc2n1CC(F)(F)F.COc1cc(S(N)(=O)=O)ccc1NCC#Cc1cc2c(NC3CCN(C)CC3F)cccc2n1CC(F)(F)F.COc1cc(S(N)(=O)=O)ccc1NCC#Cc1cc2c(NC3CCNCC3F)cccc2n1CC(F)(F)F.Cl.Nc1cccc2c1cc(I)n2CC(F)(F)F
• InChI: InChI=1S/C30H35F4N5O5S.C26H29F4N5O3S.C25H27F4N5O3S.C20H19F3N4O3S.C10H8F3IN2.C10H16FNO3.C10H12N2O3S.CH4O.ClH/c1-29(2,3)44-28(40)38-14-12-24(22(31)17-38)37-23-8-5-9-26-21(23)15-19(39(26)18-30(32,33)34)7-6-13-36-25-11-10-20(45(35,41)42)16-27(25)43-4;1-34-12-10-22(20(27)15-34)33-21-6-3-7-24-19(21)13-17(35(24)16-26(28,29)30)5-4-11-32-23-9-8-18(39(31,36)37)14-25(23)38-2;1-37-24-13-17(38(30,35)36)7-8-22(24)32-10-3-4-16-12-18-20(33-21-9-11-31-14-19(21)26)5-2-6-23(18)34(16)15-25(27,28)29;1-30-19-11-14(31(25,28)29)7-8-17(19)26-9-3-4-13-10-15-16(24)5-2-6-18(15)27(13)12-20(21,22)23;11-10(12,13)5-16-8-3-1-2-7(15)6(8)4-9(16)14;1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12;1-3-6-12-9-5-4-8(16(11,13)14)7-10(9)15-2;1-2;/h5,8-11,15-16,22,24,36-37H,12-14,17-18H2,1-4H3,(H2,35,41,42);3,6-9,13-14,20,22,32-33H,10-12,15-16H2,1-2H3,(H2,31,36,37);2,5-8,12-13,19,21,31-33H,9-11,14-15H2,1H3,(H2,30,35,36);2,5-8,10-11,26H,9,12,24H2,1H3,(H2,25,28,29);1-4H,5,15H2;7H,4-6H2,1-3H3;1,4-5,7,12H,6H2,2H3,(H2,11,13,14);2H,1H3;1H
• InChIKey: VFVBNPGQOZPLOY-UHFFFAOYSA-N
• XLogP: 20.54
• TPSA: 631.53 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 38
• Rotatable Bonds: 31
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3093.46
LogP ≤ 5	20.54
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;tert-butyl 3-fluoro-4-[[2-[3-(2-methoxy-4-sulfamoylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;4-[3-[4-[(3-fluoro-1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;4-[3-[4-[(3-fluoropiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;2-iodo-1-(2,2,2-trifluoroethyl)indol-4-amine;methanol;3-methoxy-4-(prop-2-ynylamino)benzenesulfonamide;hydrochloride?

The IUPAC name of 4-[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;tert-butyl 3-fluoro-4-[[2-[3-(2-methoxy-4-sulfamoylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;4-[3-[4-[(3-fluoro-1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;4-[3-[4-[(3-fluoropiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;2-iodo-1-(2,2,2-trifluoroethyl)indol-4-amine;methanol;3-methoxy-4-(prop-2-ynylamino)benzenesulfonamide;hydrochloride (CID 167540467) is 4-[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;tert-butyl 3-fluoro-4-[[2-[3-(2-methoxy-4-sulfamoylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;4-[3-[4-[(3-fluoro-1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;4-[3-[4-[(3-fluoropiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;2-iodo-1-(2,2,2-trifluoroethyl)indol-4-amine;methanol;3-methoxy-4-(prop-2-ynylamino)benzenesulfonamide;hydrochloride.

What is the SMILES notation for 4-[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;tert-butyl 3-fluoro-4-[[2-[3-(2-methoxy-4-sulfamoylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;4-[3-[4-[(3-fluoro-1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;4-[3-[4-[(3-fluoropiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;2-iodo-1-(2,2,2-trifluoroethyl)indol-4-amine;methanol;3-methoxy-4-(prop-2-ynylamino)benzenesulfonamide;hydrochloride?

The canonical SMILES for 4-[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;tert-butyl 3-fluoro-4-[[2-[3-(2-methoxy-4-sulfamoylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;4-[3-[4-[(3-fluoro-1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;4-[3-[4-[(3-fluoropiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;2-iodo-1-(2,2,2-trifluoroethyl)indol-4-amine;methanol;3-methoxy-4-(prop-2-ynylamino)benzenesulfonamide;hydrochloride is C#CCNc1ccc(S(N)(=O)=O)cc1OC.CC(C)(C)OC(=O)N1CCC(=O)C(F)C1.CO.COc1cc(S(N)(=O)=O)ccc1NCC#Cc1cc2c(N)cccc2n1CC(F)(F)F.COc1cc(S(N)(=O)=O)ccc1NCC#Cc1cc2c(NC3CCN(C(=O)OC(C)(C)C)CC3F)cccc2n1CC(F)(F)F.COc1cc(S(N)(=O)=O)ccc1NCC#Cc1cc2c(NC3CCN(C)CC3F)cccc2n1CC(F)(F)F.COc1cc(S(N)(=O)=O)ccc1NCC#Cc1cc2c(NC3CCNCC3F)cccc2n1CC(F)(F)F.Cl.Nc1cccc2c1cc(I)n2CC(F)(F)F.

What is the InChIKey of 4-[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;tert-butyl 3-fluoro-4-[[2-[3-(2-methoxy-4-sulfamoylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;4-[3-[4-[(3-fluoro-1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;4-[3-[4-[(3-fluoropiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;2-iodo-1-(2,2,2-trifluoroethyl)indol-4-amine;methanol;3-methoxy-4-(prop-2-ynylamino)benzenesulfonamide;hydrochloride?

The InChIKey is VFVBNPGQOZPLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F4N5O5S.C26H29F4N5O3S.C25H27F4N5O3S.C20H19F3N4O3S.C10H8F3IN2.C10H16FNO3.C10H12N2O3S.CH4O.ClH/c1-29(2,3)44-28(40)38-14-12-24(22(31)17-38)37-23-8-5-9-26-21(23)15-19(39(26)18-30(32,33)34)7-6-13-36-25-11-10-20(45(35,41)42)16-27(25)43-4;1-34-12-10-22(20(27)15-34)33-21-6-3-7-24-19(21)13-17(35(24)16-26(28,29)30)5-4-11-32-23-9-8-18(39(31,36)37)14-25(23)38-2;1-37-24-13-17(38(30,35)36)7-8-22(24)32-10-3-4-16-12-18-20(33-21-9-11-31-14-19(21)26)5-2-6-23(18)34(16)15-25(27,28)29;1-30-19-11-14(31(25,28)29)7-8-17(19)26-9-3-4-13-10-15-16(24)5-2-6-18(15)27(13)12-20(21,22)23;11-10(12,13)5-16-8-3-1-2-7(15)6(8)4-9(16)14;1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12;1-3-6-12-9-5-4-8(16(11,13)14)7-10(9)15-2;1-2;/h5,8-11,15-16,22,24,36-37H,12-14,17-18H2,1-4H3,(H2,35,41,42);3,6-9,13-14,20,22,32-33H,10-12,15-16H2,1-2H3,(H2,31,36,37);2,5-8,12-13,19,21,31-33H,9-11,14-15H2,1H3,(H2,30,35,36);2,5-8,10-11,26H,9,12,24H2,1H3,(H2,25,28,29);1-4H,5,15H2;7H,4-6H2,1-3H3;1,4-5,7,12H,6H2,2H3,(H2,11,13,14);2H,1H3;1H.

What are the key properties of 4-[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;tert-butyl 3-fluoro-4-[[2-[3-(2-methoxy-4-sulfamoylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;4-[3-[4-[(3-fluoro-1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;4-[3-[4-[(3-fluoropiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;2-iodo-1-(2,2,2-trifluoroethyl)indol-4-amine;methanol;3-methoxy-4-(prop-2-ynylamino)benzenesulfonamide;hydrochloride?

4-[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;tert-butyl 3-fluoro-4-[[2-[3-(2-methoxy-4-sulfamoylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;4-[3-[4-[(3-fluoro-1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;4-[3-[4-[(3-fluoropiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;2-iodo-1-(2,2,2-trifluoroethyl)indol-4-amine;methanol;3-methoxy-4-(prop-2-ynylamino)benzenesulfonamide;hydrochloride has a molecular weight of 3093.46 g/mol, XLogP of 20.54, 31 rotatable bonds, 17 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;tert-butyl 3-fluoro-4-[[2-[3-(2-methoxy-4-sulfamoylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;4-[3-[4-[(3-fluoro-1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;4-[3-[4-[(3-fluoropiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzenesulfonamide;2-iodo-1-(2,2,2-trifluoroethyl)indol-4-amine;methanol;3-methoxy-4-(prop-2-ynylamino)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 167540467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).