6-chloro-2,3-dihydro-1H-indole;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2-hydroxyisoquinolin-2-ium;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoroisoquinoline;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2H-isoquinolin-1-one;4-fluoroisoquinoline-5-sulfonyl chloride

C68H50Cl5F4N8O10S4+ — CID 159926430

IUPAC6-chloro-2,3-dihydro-1H-indole;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2-hydroxyisoquinolin-2-ium;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoroisoquinoline;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2H-isoquinolin-1-one;4-fluoroisoquinoline-5-sulfonyl chloride
SMILESClc1ccc2c(c1)NCC2.O=S(=O)(Cl)c1cccc2cncc(F)c12.O=S(=O)(c1cccc2c[n+](O)cc(F)c12)N1CCc2ccc(Cl)cc21.O=S(=O)(c1cccc2cncc(F)c12)N1CCc2ccc(Cl)cc21.O=c1[nH]cc(F)c2c(S(=O)(=O)N3CCc4ccc(Cl)cc43)cccc12
InChIInChI=1S/C17H13ClFN2O3S.C17H12ClFN2O3S.C17H12ClFN2O2S.C9H5ClFNO2S.C8H8ClN/c18-13-5-4-11-6-7-21(15(11)8-13)25(23,24)16-3-1-2-12-9-20(22)10-14(19)17(12)16;18-11-5-4-10-6-7-21(14(10)8-11)25(23,24)15-3-1-2-12-16(15)13(19)9-20-17(12)22;18-13-5-4-11-6-7-21(15(11)8-13)24(22,23)16-3-1-2-12-9-20-10-14(19)17(12)16;10-15(13,14)8-3-1-2-6-4-12-5-7(11)9(6)8;9-7-2-1-6-3-4-10-8(6)5-7/h1-5,8-10,22H,6-7H2;1-5,8-9H,6-7H2,(H,20,22);1-5,8-10H,6-7H2;1-5H;1-2,5,10H,3-4H2/q+1;;;;
InChIKeyNZBLBCPUGMOLGY-UHFFFAOYSA-N
MW1520.72 g/mol
LogP14.37
Rot. Bonds7

About 6-chloro-2,3-dihydro-1H-indole;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2-hydroxyisoquinolin-2-ium;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoroisoquinoline;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2H-isoquinolin-1-one;4-fluoroisoquinoline-5-sulfonyl chloride

6-chloro-2,3-dihydro-1H-indole;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2-hydroxyisoquinolin-2-ium;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoroisoquinoline;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2H-isoquinolin-1-one;4-fluoroisoquinoline-5-sulfonyl chloride (PubChem CID 159926430) has the molecular formula C68H50Cl5F4N8O10S4+ and a molecular weight of 1520.72 g/mol. Its IUPAC name is 6-chloro-2,3-dihydro-1H-indole;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2-hydroxyisoquinolin-2-ium;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoroisoquinoline;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2H-isoquinolin-1-one;4-fluoroisoquinoline-5-sulfonyl chloride.

Molecular Properties

Compound Name6-chloro-2,3-dihydro-1H-indole;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2-hydroxyisoquinolin-2-ium;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoroisoquinoline;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2H-isoquinolin-1-one;4-fluoroisoquinoline-5-sulfonyl chloride
PubChem CID159926430
Molecular FormulaC68H50Cl5F4N8O10S4+
Molecular Weight1520.72 g/mol
Exact Mass1517.09
IUPAC Name6-chloro-2,3-dihydro-1H-indole;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2-hydroxyisoquinolin-2-ium;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoroisoquinoline;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2H-isoquinolin-1-one;4-fluoroisoquinoline-5-sulfonyl chloride
SMILESClc1ccc2c(c1)NCC2.O=S(=O)(Cl)c1cccc2cncc(F)c12.O=S(=O)(c1cccc2c[n+](O)cc(F)c12)N1CCc2ccc(Cl)cc21.O=S(=O)(c1cccc2cncc(F)c12)N1CCc2ccc(Cl)cc21.O=c1[nH]cc(F)c2c(S(=O)(=O)N3CCc4ccc(Cl)cc43)cccc12
InChIInChI=1S/C17H13ClFN2O3S.C17H12ClFN2O3S.C17H12ClFN2O2S.C9H5ClFNO2S.C8H8ClN/c18-13-5-4-11-6-7-21(15(11)8-13)25(23,24)16-3-1-2-12-9-20(22)10-14(19)17(12)16;18-11-5-4-10-6-7-21(14(10)8-11)25(23,24)15-3-1-2-12-16(15)13(19)9-20-17(12)22;18-13-5-4-11-6-7-21(15(11)8-13)24(22,23)16-3-1-2-12-9-20-10-14(19)17(12)16;10-15(13,14)8-3-1-2-6-4-12-5-7(11)9(6)8;9-7-2-1-6-3-4-10-8(6)5-7/h1-5,8-10,22H,6-7H2;1-5,8-9H,6-7H2,(H,20,22);1-5,8-10H,6-7H2;1-5H;1-2,5,10H,3-4H2/q+1;;;;
InChIKeyNZBLBCPUGMOLGY-UHFFFAOYSA-N
XLogP14.37
TPSA241.06 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001520.72
LogP ≤ 514.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dihydro-1H-indole;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2-hydroxyisoquinolin-2-ium;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoroisoquinoline;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2H-isoquinolin-1-one;4-fluoroisoquinoline-5-sulfonyl chloride?
The IUPAC name of 6-chloro-2,3-dihydro-1H-indole;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2-hydroxyisoquinolin-2-ium;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoroisoquinoline;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2H-isoquinolin-1-one;4-fluoroisoquinoline-5-sulfonyl chloride (CID 159926430) is 6-chloro-2,3-dihydro-1H-indole;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2-hydroxyisoquinolin-2-ium;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoroisoquinoline;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2H-isoquinolin-1-one;4-fluoroisoquinoline-5-sulfonyl chloride.
What is the SMILES notation for 6-chloro-2,3-dihydro-1H-indole;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2-hydroxyisoquinolin-2-ium;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoroisoquinoline;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2H-isoquinolin-1-one;4-fluoroisoquinoline-5-sulfonyl chloride?
The canonical SMILES for 6-chloro-2,3-dihydro-1H-indole;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2-hydroxyisoquinolin-2-ium;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoroisoquinoline;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2H-isoquinolin-1-one;4-fluoroisoquinoline-5-sulfonyl chloride is Clc1ccc2c(c1)NCC2.O=S(=O)(Cl)c1cccc2cncc(F)c12.O=S(=O)(c1cccc2c[n+](O)cc(F)c12)N1CCc2ccc(Cl)cc21.O=S(=O)(c1cccc2cncc(F)c12)N1CCc2ccc(Cl)cc21.O=c1[nH]cc(F)c2c(S(=O)(=O)N3CCc4ccc(Cl)cc43)cccc12.
What is the InChIKey of 6-chloro-2,3-dihydro-1H-indole;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2-hydroxyisoquinolin-2-ium;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoroisoquinoline;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2H-isoquinolin-1-one;4-fluoroisoquinoline-5-sulfonyl chloride?
The InChIKey is NZBLBCPUGMOLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN2O3S.C17H12ClFN2O3S.C17H12ClFN2O2S.C9H5ClFNO2S.C8H8ClN/c18-13-5-4-11-6-7-21(15(11)8-13)25(23,24)16-3-1-2-12-9-20(22)10-14(19)17(12)16;18-11-5-4-10-6-7-21(14(10)8-11)25(23,24)15-3-1-2-12-16(15)13(19)9-20-17(12)22;18-13-5-4-11-6-7-21(15(11)8-13)24(22,23)16-3-1-2-12-9-20-10-14(19)17(12)16;10-15(13,14)8-3-1-2-6-4-12-5-7(11)9(6)8;9-7-2-1-6-3-4-10-8(6)5-7/h1-5,8-10,22H,6-7H2;1-5,8-9H,6-7H2,(H,20,22);1-5,8-10H,6-7H2;1-5H;1-2,5,10H,3-4H2/q+1;;;;.
What are the key properties of 6-chloro-2,3-dihydro-1H-indole;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2-hydroxyisoquinolin-2-ium;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoroisoquinoline;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2H-isoquinolin-1-one;4-fluoroisoquinoline-5-sulfonyl chloride?
6-chloro-2,3-dihydro-1H-indole;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2-hydroxyisoquinolin-2-ium;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoroisoquinoline;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2H-isoquinolin-1-one;4-fluoroisoquinoline-5-sulfonyl chloride has a molecular weight of 1520.72 g/mol, XLogP of 14.37, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dihydro-1H-indole;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2-hydroxyisoquinolin-2-ium;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoroisoquinoline;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2H-isoquinolin-1-one;4-fluoroisoquinoline-5-sulfonyl chloride is sourced from PubChem (CID 159926430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).