N-(3,4-dichloro-1H-indol-7-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C17H12Cl2FN3O3S — CID 175664445

IUPACN-(3,4-dichloro-1H-indol-7-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)Nc3ccc(Cl)c4c(Cl)c[nH]c34)c(F)cc2N1
InChIInChI=1S/C17H12Cl2FN3O3S/c18-9-2-3-12(17-16(9)10(19)7-21-17)23-27(25,26)14-5-8-1-4-15(24)22-13(8)6-11(14)20/h2-3,5-7,21,23H,1,4H2,(H,22,24)
InChIKeyPBVXOBPGXFDQQO-UHFFFAOYSA-N
MW428.27 g/mol
LogP4.30
Rot. Bonds3

About N-(3,4-dichloro-1H-indol-7-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-(3,4-dichloro-1H-indol-7-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 175664445) has the molecular formula C17H12Cl2FN3O3S and a molecular weight of 428.27 g/mol. Its IUPAC name is N-(3,4-dichloro-1H-indol-7-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dichloro-1H-indol-7-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID175664445
Molecular FormulaC17H12Cl2FN3O3S
Molecular Weight428.27 g/mol
Exact Mass427.00
IUPAC NameN-(3,4-dichloro-1H-indol-7-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)Nc3ccc(Cl)c4c(Cl)c[nH]c34)c(F)cc2N1
InChIInChI=1S/C17H12Cl2FN3O3S/c18-9-2-3-12(17-16(9)10(19)7-21-17)23-27(25,26)14-5-8-1-4-15(24)22-13(8)6-11(14)20/h2-3,5-7,21,23H,1,4H2,(H,22,24)
InChIKeyPBVXOBPGXFDQQO-UHFFFAOYSA-N
XLogP4.30
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.27
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dichloro-1H-indol-7-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide with MolForge

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Related Compounds

2-oxo-N-(quinolin-8-yl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 8823727
N-(3-Chloro-1H-indol-7-YL)-4-sulfamoylbenzamide
CID 10915071
4-Amino-n-(3,4-dichloro-1h-indol-7-yl)benzenesulfonamide
CID 12043151
4-Amino-N-(3-chloro-4-fluoro-1H-indol-7-yl)benzenesulfonamide
CID 12043152
N-(3,4-dichloro-1H-indol-7-yl)-1-fluoronaphthalene-2-sulfonamide
CID 168199833
N-(4-chloro-2,5-difluorophenyl)-8-oxo-1,9-dihydropyrrolo[3,2-h]quinoline-3-sulfonamide
CID 135187022
N-(4-chloro-2-fluorophenyl)-8-oxo-1,9-dihydropyrrolo[3,2-h]quinoline-3-sulfonamide
CID 142393388
3-cyano-N-(3,4-dichloro-1H-indol-7-yl)-4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]sulfonylbenzenesulfonamide
CID 164863458
N-(3,4-dichloro-1H-indol-7-yl)-3-fluoro-4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]sulfinylbenzenesulfinamide
CID 164863472
N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide
CID 164863477
1-[4-[4-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanylphenyl]sulfinylpiperidin-1-yl]-2,2,2-trifluoroethanone
CID 164863487
N-(3,4-dichloro-1H-indol-7-yl)-3-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]sulfonylbenzenesulfonamide
CID 164863502

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichloro-1H-indol-7-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(3,4-dichloro-1H-indol-7-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 175664445) is N-(3,4-dichloro-1H-indol-7-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(3,4-dichloro-1H-indol-7-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(3,4-dichloro-1H-indol-7-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is O=C1CCc2cc(S(=O)(=O)Nc3ccc(Cl)c4c(Cl)c[nH]c34)c(F)cc2N1.
What is the InChIKey of N-(3,4-dichloro-1H-indol-7-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is PBVXOBPGXFDQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FN3O3S/c18-9-2-3-12(17-16(9)10(19)7-21-17)23-27(25,26)14-5-8-1-4-15(24)22-13(8)6-11(14)20/h2-3,5-7,21,23H,1,4H2,(H,22,24).
What are the key properties of N-(3,4-dichloro-1H-indol-7-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-(3,4-dichloro-1H-indol-7-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 428.27 g/mol, XLogP of 4.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichloro-1H-indol-7-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 175664445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).