bis(N-benzyl-3,3-dichloro-1-methyl-2-oxoindole-5-sulfonamide);5-(4-benzylpiperidin-1-yl)sulfonyl-3,3-dichloro-1H-indol-2-one;3,3-dichloro-1-methyl-2-oxoindole-5-sulfonyl chloride;3,3-dichloro-1-methyl-5-piperidin-1-ylsulfonylindol-2-one;3,3-dichloro-5-(4-phenylpiperidin-1-yl)sulfonyl-1H-indol-2-one;3,3-dichloro-5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-indol-2-one

C112H111Cl15N14O21S7 — CID 173277825

IUPACbis(N-benzyl-3,3-dichloro-1-methyl-2-oxoindole-5-sulfonamide);5-(4-benzylpiperidin-1-yl)sulfonyl-3,3-dichloro-1H-indol-2-one;3,3-dichloro-1-methyl-2-oxoindole-5-sulfonyl chloride;3,3-dichloro-1-methyl-5-piperidin-1-ylsulfonylindol-2-one;3,3-dichloro-5-(4-phenylpiperidin-1-yl)sulfonyl-1H-indol-2-one;3,3-dichloro-5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-indol-2-one
SMILESCN1C(=O)C(Cl)(Cl)c2cc(S(=O)(=O)Cl)ccc21.CN1C(=O)C(Cl)(Cl)c2cc(S(=O)(=O)N3CCCCC3)ccc21.CN1C(=O)C(Cl)(Cl)c2cc(S(=O)(=O)NCc3ccccc3)ccc21.CN1C(=O)C(Cl)(Cl)c2cc(S(=O)(=O)NCc3ccccc3)ccc21.O=C1Nc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2C1(Cl)Cl.O=C1Nc2ccc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)cc2C1(Cl)Cl.O=C1Nc2ccc(S(=O)(=O)N3CCC(c4ccccc4)CC3)cc2C1(Cl)Cl
InChIInChI=1S/C20H20Cl2N2O3S.C19H18Cl2N2O3S.C18H23Cl2N3O3S.2C16H14Cl2N2O3S.C14H16Cl2N2O3S.C9H6Cl3NO3S/c21-20(22)17-13-16(6-7-18(17)23-19(20)25)28(26,27)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14;20-19(21)16-12-15(6-7-17(16)22-18(19)24)27(25,26)23-10-8-14(9-11-23)13-4-2-1-3-5-13;19-18(20)15-12-14(4-5-16(15)21-17(18)24)27(25,26)23-10-6-13(7-11-23)22-8-2-1-3-9-22;2*1-20-14-8-7-12(9-13(14)16(17,18)15(20)21)24(22,23)19-10-11-5-3-2-4-6-11;1-17-12-6-5-10(9-11(12)14(15,16)13(17)19)22(20,21)18-7-3-2-4-8-18;1-13-7-3-2-5(17(12,15)16)4-6(7)9(10,11)8(13)14/h1-7,13,15H,8-12H2,(H,23,25);1-7,12,14H,8-11H2,(H,22,24);4-5,12-13H,1-3,6-11H2,(H,21,24);2*2-9,19H,10H2,1H3;5-6,9H,2-4,7-8H2,1H3;2-4H,1H3
InChIKeyBTJMQSTUENQJAU-UHFFFAOYSA-N
MW2745.46 g/mol
LogP20.89
Rot. Bonds21

About bis(N-benzyl-3,3-dichloro-1-methyl-2-oxoindole-5-sulfonamide);5-(4-benzylpiperidin-1-yl)sulfonyl-3,3-dichloro-1H-indol-2-one;3,3-dichloro-1-methyl-2-oxoindole-5-sulfonyl chloride;3,3-dichloro-1-methyl-5-piperidin-1-ylsulfonylindol-2-one;3,3-dichloro-5-(4-phenylpiperidin-1-yl)sulfonyl-1H-indol-2-one;3,3-dichloro-5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-indol-2-one

bis(N-benzyl-3,3-dichloro-1-methyl-2-oxoindole-5-sulfonamide);5-(4-benzylpiperidin-1-yl)sulfonyl-3,3-dichloro-1H-indol-2-one;3,3-dichloro-1-methyl-2-oxoindole-5-sulfonyl chloride;3,3-dichloro-1-methyl-5-piperidin-1-ylsulfonylindol-2-one;3,3-dichloro-5-(4-phenylpiperidin-1-yl)sulfonyl-1H-indol-2-one;3,3-dichloro-5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-indol-2-one (PubChem CID 173277825) has the molecular formula C112H111Cl15N14O21S7 and a molecular weight of 2745.46 g/mol. Its IUPAC name is bis(N-benzyl-3,3-dichloro-1-methyl-2-oxoindole-5-sulfonamide);5-(4-benzylpiperidin-1-yl)sulfonyl-3,3-dichloro-1H-indol-2-one;3,3-dichloro-1-methyl-2-oxoindole-5-sulfonyl chloride;3,3-dichloro-1-methyl-5-piperidin-1-ylsulfonylindol-2-one;3,3-dichloro-5-(4-phenylpiperidin-1-yl)sulfonyl-1H-indol-2-one;3,3-dichloro-5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-indol-2-one.

Molecular Properties

Compound Namebis(N-benzyl-3,3-dichloro-1-methyl-2-oxoindole-5-sulfonamide);5-(4-benzylpiperidin-1-yl)sulfonyl-3,3-dichloro-1H-indol-2-one;3,3-dichloro-1-methyl-2-oxoindole-5-sulfonyl chloride;3,3-dichloro-1-methyl-5-piperidin-1-ylsulfonylindol-2-one;3,3-dichloro-5-(4-phenylpiperidin-1-yl)sulfonyl-1H-indol-2-one;3,3-dichloro-5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-indol-2-one
PubChem CID173277825
Molecular FormulaC112H111Cl15N14O21S7
Molecular Weight2745.46 g/mol
Exact Mass2736.14
IUPAC Namebis(N-benzyl-3,3-dichloro-1-methyl-2-oxoindole-5-sulfonamide);5-(4-benzylpiperidin-1-yl)sulfonyl-3,3-dichloro-1H-indol-2-one;3,3-dichloro-1-methyl-2-oxoindole-5-sulfonyl chloride;3,3-dichloro-1-methyl-5-piperidin-1-ylsulfonylindol-2-one;3,3-dichloro-5-(4-phenylpiperidin-1-yl)sulfonyl-1H-indol-2-one;3,3-dichloro-5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-indol-2-one
SMILESCN1C(=O)C(Cl)(Cl)c2cc(S(=O)(=O)Cl)ccc21.CN1C(=O)C(Cl)(Cl)c2cc(S(=O)(=O)N3CCCCC3)ccc21.CN1C(=O)C(Cl)(Cl)c2cc(S(=O)(=O)NCc3ccccc3)ccc21.CN1C(=O)C(Cl)(Cl)c2cc(S(=O)(=O)NCc3ccccc3)ccc21.O=C1Nc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2C1(Cl)Cl.O=C1Nc2ccc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)cc2C1(Cl)Cl.O=C1Nc2ccc(S(=O)(=O)N3CCC(c4ccccc4)CC3)cc2C1(Cl)Cl
InChIInChI=1S/C20H20Cl2N2O3S.C19H18Cl2N2O3S.C18H23Cl2N3O3S.2C16H14Cl2N2O3S.C14H16Cl2N2O3S.C9H6Cl3NO3S/c21-20(22)17-13-16(6-7-18(17)23-19(20)25)28(26,27)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14;20-19(21)16-12-15(6-7-17(16)22-18(19)24)27(25,26)23-10-8-14(9-11-23)13-4-2-1-3-5-13;19-18(20)15-12-14(4-5-16(15)21-17(18)24)27(25,26)23-10-6-13(7-11-23)22-8-2-1-3-9-22;2*1-20-14-8-7-12(9-13(14)16(17,18)15(20)21)24(22,23)19-10-11-5-3-2-4-6-11;1-17-12-6-5-10(9-11(12)14(15,16)13(17)19)22(20,21)18-7-3-2-4-8-18;1-13-7-3-2-5(17(12,15)16)4-6(7)9(10,11)8(13)14/h1-7,13,15H,8-12H2,(H,23,25);1-7,12,14H,8-11H2,(H,22,24);4-5,12-13H,1-3,6-11H2,(H,21,24);2*2-9,19H,10H2,1H3;5-6,9H,2-4,7-8H2,1H3;2-4H,1H3
InChIKeyBTJMQSTUENQJAU-UHFFFAOYSA-N
XLogP20.89
TPSA447.78 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002745.46
LogP ≤ 520.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze bis(N-benzyl-3,3-dichloro-1-methyl-2-oxoindole-5-sulfonamide);5-(4-benzylpiperidin-1-yl)sulfonyl-3,3-dichloro-1H-indol-2-one;3,3-dichloro-1-methyl-2-oxoindole-5-sulfonyl chloride;3,3-dichloro-1-methyl-5-piperidin-1-ylsulfonylindol-2-one;3,3-dichloro-5-(4-phenylpiperidin-1-yl)sulfonyl-1H-indol-2-one;3,3-dichloro-5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-indol-2-one with MolForge

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Related Compounds

bis(N-benzyl-3,3-dichloro-1-methyl-2-oxoindole-5-sulfonamide);3,3-dichloro-1-methyl-2-oxoindole-5-sulfonyl chloride
CID 158307251
1,3,3-trimethyl-5-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylindol-2-one
CID 92692890
6-(4-benzylpiperidin-1-yl)sulfonyl-2-methyl-4H-1,4-benzothiazin-3-one
CID 22550164
4-benzyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine
CID 1254760
4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine
CID 7938048
1-[4-(4-benzylpiperidin-1-yl)sulfonyl-2-methylphenyl]pyrrolidin-2-one
CID 99954773
N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide
CID 51702797
1-naphthalen-2-ylsulfonyl-4-phenylpiperidine
CID 4729267
1-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide
CID 110675383
5-(4-benzylpiperidin-1-yl)sulfonyl-2-chloroaniline
CID 23120376
6-(4-benzylpiperidin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one
CID 110345025
7-(4-benzylpiperidin-1-yl)sulfonyl-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 20935230

Frequently Asked Questions

What is the IUPAC name of bis(N-benzyl-3,3-dichloro-1-methyl-2-oxoindole-5-sulfonamide);5-(4-benzylpiperidin-1-yl)sulfonyl-3,3-dichloro-1H-indol-2-one;3,3-dichloro-1-methyl-2-oxoindole-5-sulfonyl chloride;3,3-dichloro-1-methyl-5-piperidin-1-ylsulfonylindol-2-one;3,3-dichloro-5-(4-phenylpiperidin-1-yl)sulfonyl-1H-indol-2-one;3,3-dichloro-5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-indol-2-one?
The IUPAC name of bis(N-benzyl-3,3-dichloro-1-methyl-2-oxoindole-5-sulfonamide);5-(4-benzylpiperidin-1-yl)sulfonyl-3,3-dichloro-1H-indol-2-one;3,3-dichloro-1-methyl-2-oxoindole-5-sulfonyl chloride;3,3-dichloro-1-methyl-5-piperidin-1-ylsulfonylindol-2-one;3,3-dichloro-5-(4-phenylpiperidin-1-yl)sulfonyl-1H-indol-2-one;3,3-dichloro-5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-indol-2-one (CID 173277825) is bis(N-benzyl-3,3-dichloro-1-methyl-2-oxoindole-5-sulfonamide);5-(4-benzylpiperidin-1-yl)sulfonyl-3,3-dichloro-1H-indol-2-one;3,3-dichloro-1-methyl-2-oxoindole-5-sulfonyl chloride;3,3-dichloro-1-methyl-5-piperidin-1-ylsulfonylindol-2-one;3,3-dichloro-5-(4-phenylpiperidin-1-yl)sulfonyl-1H-indol-2-one;3,3-dichloro-5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-indol-2-one.
What is the SMILES notation for bis(N-benzyl-3,3-dichloro-1-methyl-2-oxoindole-5-sulfonamide);5-(4-benzylpiperidin-1-yl)sulfonyl-3,3-dichloro-1H-indol-2-one;3,3-dichloro-1-methyl-2-oxoindole-5-sulfonyl chloride;3,3-dichloro-1-methyl-5-piperidin-1-ylsulfonylindol-2-one;3,3-dichloro-5-(4-phenylpiperidin-1-yl)sulfonyl-1H-indol-2-one;3,3-dichloro-5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-indol-2-one?
The canonical SMILES for bis(N-benzyl-3,3-dichloro-1-methyl-2-oxoindole-5-sulfonamide);5-(4-benzylpiperidin-1-yl)sulfonyl-3,3-dichloro-1H-indol-2-one;3,3-dichloro-1-methyl-2-oxoindole-5-sulfonyl chloride;3,3-dichloro-1-methyl-5-piperidin-1-ylsulfonylindol-2-one;3,3-dichloro-5-(4-phenylpiperidin-1-yl)sulfonyl-1H-indol-2-one;3,3-dichloro-5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-indol-2-one is CN1C(=O)C(Cl)(Cl)c2cc(S(=O)(=O)Cl)ccc21.CN1C(=O)C(Cl)(Cl)c2cc(S(=O)(=O)N3CCCCC3)ccc21.CN1C(=O)C(Cl)(Cl)c2cc(S(=O)(=O)NCc3ccccc3)ccc21.CN1C(=O)C(Cl)(Cl)c2cc(S(=O)(=O)NCc3ccccc3)ccc21.O=C1Nc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2C1(Cl)Cl.O=C1Nc2ccc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)cc2C1(Cl)Cl.O=C1Nc2ccc(S(=O)(=O)N3CCC(c4ccccc4)CC3)cc2C1(Cl)Cl.
What is the InChIKey of bis(N-benzyl-3,3-dichloro-1-methyl-2-oxoindole-5-sulfonamide);5-(4-benzylpiperidin-1-yl)sulfonyl-3,3-dichloro-1H-indol-2-one;3,3-dichloro-1-methyl-2-oxoindole-5-sulfonyl chloride;3,3-dichloro-1-methyl-5-piperidin-1-ylsulfonylindol-2-one;3,3-dichloro-5-(4-phenylpiperidin-1-yl)sulfonyl-1H-indol-2-one;3,3-dichloro-5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-indol-2-one?
The InChIKey is BTJMQSTUENQJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O3S.C19H18Cl2N2O3S.C18H23Cl2N3O3S.2C16H14Cl2N2O3S.C14H16Cl2N2O3S.C9H6Cl3NO3S/c21-20(22)17-13-16(6-7-18(17)23-19(20)25)28(26,27)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14;20-19(21)16-12-15(6-7-17(16)22-18(19)24)27(25,26)23-10-8-14(9-11-23)13-4-2-1-3-5-13;19-18(20)15-12-14(4-5-16(15)21-17(18)24)27(25,26)23-10-6-13(7-11-23)22-8-2-1-3-9-22;2*1-20-14-8-7-12(9-13(14)16(17,18)15(20)21)24(22,23)19-10-11-5-3-2-4-6-11;1-17-12-6-5-10(9-11(12)14(15,16)13(17)19)22(20,21)18-7-3-2-4-8-18;1-13-7-3-2-5(17(12,15)16)4-6(7)9(10,11)8(13)14/h1-7,13,15H,8-12H2,(H,23,25);1-7,12,14H,8-11H2,(H,22,24);4-5,12-13H,1-3,6-11H2,(H,21,24);2*2-9,19H,10H2,1H3;5-6,9H,2-4,7-8H2,1H3;2-4H,1H3.
What are the key properties of bis(N-benzyl-3,3-dichloro-1-methyl-2-oxoindole-5-sulfonamide);5-(4-benzylpiperidin-1-yl)sulfonyl-3,3-dichloro-1H-indol-2-one;3,3-dichloro-1-methyl-2-oxoindole-5-sulfonyl chloride;3,3-dichloro-1-methyl-5-piperidin-1-ylsulfonylindol-2-one;3,3-dichloro-5-(4-phenylpiperidin-1-yl)sulfonyl-1H-indol-2-one;3,3-dichloro-5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-indol-2-one?
bis(N-benzyl-3,3-dichloro-1-methyl-2-oxoindole-5-sulfonamide);5-(4-benzylpiperidin-1-yl)sulfonyl-3,3-dichloro-1H-indol-2-one;3,3-dichloro-1-methyl-2-oxoindole-5-sulfonyl chloride;3,3-dichloro-1-methyl-5-piperidin-1-ylsulfonylindol-2-one;3,3-dichloro-5-(4-phenylpiperidin-1-yl)sulfonyl-1H-indol-2-one;3,3-dichloro-5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-indol-2-one has a molecular weight of 2745.46 g/mol, XLogP of 20.89, 21 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-benzyl-3,3-dichloro-1-methyl-2-oxoindole-5-sulfonamide);5-(4-benzylpiperidin-1-yl)sulfonyl-3,3-dichloro-1H-indol-2-one;3,3-dichloro-1-methyl-2-oxoindole-5-sulfonyl chloride;3,3-dichloro-1-methyl-5-piperidin-1-ylsulfonylindol-2-one;3,3-dichloro-5-(4-phenylpiperidin-1-yl)sulfonyl-1H-indol-2-one;3,3-dichloro-5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-indol-2-one is sourced from PubChem (CID 173277825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).