4-bromo-3-chlorobenzenesulfonyl chloride;1-(4-bromo-3-chlorophenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole;2-chloro-N'-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzenecarboximidamide;2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzonitrile;3-[2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one;methanamine;5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole;hydrochloride

C110H81Br2Cl7F15N11O13S5 — CID 158816313

IUPAC4-bromo-3-chlorobenzenesulfonyl chloride;1-(4-bromo-3-chlorophenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole;2-chloro-N'-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzenecarboximidamide;2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzonitrile;3-[2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one;methanamine;5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole;hydrochloride
SMILESCN.Cl.FC(F)(F)c1ccc(-c2ccc3c(c2)CCN3)cc1.N#Cc1ccc(S(=O)(=O)N2CCc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1Cl.NC(=NO)c1ccc(S(=O)(=O)N2CCc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1Cl.O=S(=O)(Cl)c1ccc(Br)c(Cl)c1.O=S(=O)(c1ccc(Br)c(Cl)c1)N1CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc21.O=c1[nH]c(-c2ccc(S(=O)(=O)N3CCc4cc(-c5ccc(C(F)(F)F)cc5)ccc43)cc2Cl)no1
InChIInChI=1S/C23H15ClF3N3O4S.C22H17ClF3N3O3S.C22H14ClF3N2O2S.C21H14BrClF3NO2S.C15H12F3N.C6H3BrCl2O2S.CH5N.ClH/c24-19-12-17(6-7-18(19)21-28-22(31)34-29-21)35(32,33)30-10-9-15-11-14(3-8-20(15)30)13-1-4-16(5-2-13)23(25,26)27;23-19-12-17(6-7-18(19)21(27)28-30)33(31,32)29-10-9-15-11-14(3-8-20(15)29)13-1-4-16(5-2-13)22(24,25)26;23-20-12-19(7-3-17(20)13-27)31(29,30)28-10-9-16-11-15(4-8-21(16)28)14-1-5-18(6-2-14)22(24,25)26;22-18-7-6-17(12-19(18)23)30(28,29)27-10-9-15-11-14(3-8-20(15)27)13-1-4-16(5-2-13)21(24,25)26;16-15(17,18)13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-19-14;7-5-2-1-4(3-6(5)8)12(9,10)11;1-2;/h1-8,11-12H,9-10H2,(H,28,29,31);1-8,11-12,30H,9-10H2,(H2,27,28);1-8,11-12H,9-10H2;1-8,11-12H,9-10H2;1-6,9,19H,7-8H2;1-3H;2H2,1H3;1H
InChIKeyMCJGEUHPFSKLAD-UHFFFAOYSA-N
MW2618.21 g/mol
LogP29.55
Rot. Bonds16

About 4-bromo-3-chlorobenzenesulfonyl chloride;1-(4-bromo-3-chlorophenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole;2-chloro-N'-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzenecarboximidamide;2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzonitrile;3-[2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one;methanamine;5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole;hydrochloride

4-bromo-3-chlorobenzenesulfonyl chloride;1-(4-bromo-3-chlorophenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole;2-chloro-N'-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzenecarboximidamide;2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzonitrile;3-[2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one;methanamine;5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole;hydrochloride (PubChem CID 158816313) has the molecular formula C110H81Br2Cl7F15N11O13S5 and a molecular weight of 2618.21 g/mol. Its IUPAC name is 4-bromo-3-chlorobenzenesulfonyl chloride;1-(4-bromo-3-chlorophenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole;2-chloro-N'-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzenecarboximidamide;2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzonitrile;3-[2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one;methanamine;5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole;hydrochloride.

Molecular Properties

Compound Name4-bromo-3-chlorobenzenesulfonyl chloride;1-(4-bromo-3-chlorophenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole;2-chloro-N'-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzenecarboximidamide;2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzonitrile;3-[2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one;methanamine;5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole;hydrochloride
PubChem CID158816313
Molecular FormulaC110H81Br2Cl7F15N11O13S5
Molecular Weight2618.21 g/mol
Exact Mass2611.06
IUPAC Name4-bromo-3-chlorobenzenesulfonyl chloride;1-(4-bromo-3-chlorophenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole;2-chloro-N'-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzenecarboximidamide;2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzonitrile;3-[2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one;methanamine;5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole;hydrochloride
SMILESCN.Cl.FC(F)(F)c1ccc(-c2ccc3c(c2)CCN3)cc1.N#Cc1ccc(S(=O)(=O)N2CCc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1Cl.NC(=NO)c1ccc(S(=O)(=O)N2CCc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1Cl.O=S(=O)(Cl)c1ccc(Br)c(Cl)c1.O=S(=O)(c1ccc(Br)c(Cl)c1)N1CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc21.O=c1[nH]c(-c2ccc(S(=O)(=O)N3CCc4cc(-c5ccc(C(F)(F)F)cc5)ccc43)cc2Cl)no1
InChIInChI=1S/C23H15ClF3N3O4S.C22H17ClF3N3O3S.C22H14ClF3N2O2S.C21H14BrClF3NO2S.C15H12F3N.C6H3BrCl2O2S.CH5N.ClH/c24-19-12-17(6-7-18(19)21-28-22(31)34-29-21)35(32,33)30-10-9-15-11-14(3-8-20(15)30)13-1-4-16(5-2-13)23(25,26)27;23-19-12-17(6-7-18(19)21(27)28-30)33(31,32)29-10-9-15-11-14(3-8-20(15)29)13-1-4-16(5-2-13)22(24,25)26;23-20-12-19(7-3-17(20)13-27)31(29,30)28-10-9-16-11-15(4-8-21(16)28)14-1-5-18(6-2-14)22(24,25)26;22-18-7-6-17(12-19(18)23)30(28,29)27-10-9-15-11-14(3-8-20(15)27)13-1-4-16(5-2-13)21(24,25)26;16-15(17,18)13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-19-14;7-5-2-1-4(3-6(5)8)12(9,10)11;1-2;/h1-8,11-12H,9-10H2,(H,28,29,31);1-8,11-12,30H,9-10H2,(H2,27,28);1-8,11-12H,9-10H2;1-8,11-12H,9-10H2;1-6,9,19H,7-8H2;1-3H;2H2,1H3;1H
InChIKeyMCJGEUHPFSKLAD-UHFFFAOYSA-N
XLogP29.55
TPSA363.00 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002618.21
LogP ≤ 529.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-3-chlorobenzenesulfonyl chloride;1-(4-bromo-3-chlorophenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole;2-chloro-N'-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzenecarboximidamide;2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzonitrile;3-[2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one;methanamine;5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chlorobenzenesulfonyl chloride;1-(4-bromo-3-chlorophenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole;2-chloro-N'-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzenecarboximidamide;2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzonitrile;3-[2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one;methanamine;5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole;hydrochloride?
The IUPAC name of 4-bromo-3-chlorobenzenesulfonyl chloride;1-(4-bromo-3-chlorophenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole;2-chloro-N'-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzenecarboximidamide;2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzonitrile;3-[2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one;methanamine;5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole;hydrochloride (CID 158816313) is 4-bromo-3-chlorobenzenesulfonyl chloride;1-(4-bromo-3-chlorophenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole;2-chloro-N'-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzenecarboximidamide;2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzonitrile;3-[2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one;methanamine;5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole;hydrochloride.
What is the SMILES notation for 4-bromo-3-chlorobenzenesulfonyl chloride;1-(4-bromo-3-chlorophenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole;2-chloro-N'-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzenecarboximidamide;2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzonitrile;3-[2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one;methanamine;5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole;hydrochloride?
The canonical SMILES for 4-bromo-3-chlorobenzenesulfonyl chloride;1-(4-bromo-3-chlorophenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole;2-chloro-N'-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzenecarboximidamide;2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzonitrile;3-[2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one;methanamine;5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole;hydrochloride is CN.Cl.FC(F)(F)c1ccc(-c2ccc3c(c2)CCN3)cc1.N#Cc1ccc(S(=O)(=O)N2CCc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1Cl.NC(=NO)c1ccc(S(=O)(=O)N2CCc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1Cl.O=S(=O)(Cl)c1ccc(Br)c(Cl)c1.O=S(=O)(c1ccc(Br)c(Cl)c1)N1CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc21.O=c1[nH]c(-c2ccc(S(=O)(=O)N3CCc4cc(-c5ccc(C(F)(F)F)cc5)ccc43)cc2Cl)no1.
What is the InChIKey of 4-bromo-3-chlorobenzenesulfonyl chloride;1-(4-bromo-3-chlorophenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole;2-chloro-N'-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzenecarboximidamide;2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzonitrile;3-[2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one;methanamine;5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole;hydrochloride?
The InChIKey is MCJGEUHPFSKLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N3O4S.C22H17ClF3N3O3S.C22H14ClF3N2O2S.C21H14BrClF3NO2S.C15H12F3N.C6H3BrCl2O2S.CH5N.ClH/c24-19-12-17(6-7-18(19)21-28-22(31)34-29-21)35(32,33)30-10-9-15-11-14(3-8-20(15)30)13-1-4-16(5-2-13)23(25,26)27;23-19-12-17(6-7-18(19)21(27)28-30)33(31,32)29-10-9-15-11-14(3-8-20(15)29)13-1-4-16(5-2-13)22(24,25)26;23-20-12-19(7-3-17(20)13-27)31(29,30)28-10-9-16-11-15(4-8-21(16)28)14-1-5-18(6-2-14)22(24,25)26;22-18-7-6-17(12-19(18)23)30(28,29)27-10-9-15-11-14(3-8-20(15)27)13-1-4-16(5-2-13)21(24,25)26;16-15(17,18)13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-19-14;7-5-2-1-4(3-6(5)8)12(9,10)11;1-2;/h1-8,11-12H,9-10H2,(H,28,29,31);1-8,11-12,30H,9-10H2,(H2,27,28);1-8,11-12H,9-10H2;1-8,11-12H,9-10H2;1-6,9,19H,7-8H2;1-3H;2H2,1H3;1H.
What are the key properties of 4-bromo-3-chlorobenzenesulfonyl chloride;1-(4-bromo-3-chlorophenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole;2-chloro-N'-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzenecarboximidamide;2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzonitrile;3-[2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one;methanamine;5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole;hydrochloride?
4-bromo-3-chlorobenzenesulfonyl chloride;1-(4-bromo-3-chlorophenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole;2-chloro-N'-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzenecarboximidamide;2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzonitrile;3-[2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one;methanamine;5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole;hydrochloride has a molecular weight of 2618.21 g/mol, XLogP of 29.55, 16 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chlorobenzenesulfonyl chloride;1-(4-bromo-3-chlorophenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole;2-chloro-N'-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzenecarboximidamide;2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzonitrile;3-[2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one;methanamine;5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole;hydrochloride is sourced from PubChem (CID 158816313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).