N-(4-chloro-2-fluorophenyl)-8-oxo-1,9-dihydropyrrolo[3,2-h]quinoline-3-sulfonamide

C17H11ClFN3O3S — CID 142393388

IUPACN-(4-chloro-2-fluorophenyl)-8-oxo-1,9-dihydropyrrolo[3,2-h]quinoline-3-sulfonamide
SMILESO=c1ccc2ccc3c(S(=O)(=O)Nc4ccc(Cl)cc4F)c[nH]c3c2[nH]1
InChIInChI=1S/C17H11ClFN3O3S/c18-10-3-5-13(12(19)7-10)22-26(24,25)14-8-20-17-11(14)4-1-9-2-6-15(23)21-16(9)17/h1-8,20,22H,(H,21,23)
InChIKeySIOQBCVRFMZFGE-UHFFFAOYSA-N
MW391.81 g/mol
LogP3.60
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-8-oxo-1,9-dihydropyrrolo[3,2-h]quinoline-3-sulfonamide

N-(4-chloro-2-fluorophenyl)-8-oxo-1,9-dihydropyrrolo[3,2-h]quinoline-3-sulfonamide (PubChem CID 142393388) has the molecular formula C17H11ClFN3O3S and a molecular weight of 391.81 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-8-oxo-1,9-dihydropyrrolo[3,2-h]quinoline-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-8-oxo-1,9-dihydropyrrolo[3,2-h]quinoline-3-sulfonamide
PubChem CID142393388
Molecular FormulaC17H11ClFN3O3S
Molecular Weight391.81 g/mol
Exact Mass391.02
IUPAC NameN-(4-chloro-2-fluorophenyl)-8-oxo-1,9-dihydropyrrolo[3,2-h]quinoline-3-sulfonamide
SMILESO=c1ccc2ccc3c(S(=O)(=O)Nc4ccc(Cl)cc4F)c[nH]c3c2[nH]1
InChIInChI=1S/C17H11ClFN3O3S/c18-10-3-5-13(12(19)7-10)22-26(24,25)14-8-20-17-11(14)4-1-9-2-6-15(23)21-16(9)17/h1-8,20,22H,(H,21,23)
InChIKeySIOQBCVRFMZFGE-UHFFFAOYSA-N
XLogP3.60
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-8-oxo-1,9-dihydropyrrolo[3,2-h]quinoline-3-sulfonamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-8-oxo-1,9-dihydropyrrolo[3,2-h]quinoline-3-sulfonamide (CID 142393388) is N-(4-chloro-2-fluorophenyl)-8-oxo-1,9-dihydropyrrolo[3,2-h]quinoline-3-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-8-oxo-1,9-dihydropyrrolo[3,2-h]quinoline-3-sulfonamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-8-oxo-1,9-dihydropyrrolo[3,2-h]quinoline-3-sulfonamide is O=c1ccc2ccc3c(S(=O)(=O)Nc4ccc(Cl)cc4F)c[nH]c3c2[nH]1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-8-oxo-1,9-dihydropyrrolo[3,2-h]quinoline-3-sulfonamide?
The InChIKey is SIOQBCVRFMZFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O3S/c18-10-3-5-13(12(19)7-10)22-26(24,25)14-8-20-17-11(14)4-1-9-2-6-15(23)21-16(9)17/h1-8,20,22H,(H,21,23).
What are the key properties of N-(4-chloro-2-fluorophenyl)-8-oxo-1,9-dihydropyrrolo[3,2-h]quinoline-3-sulfonamide?
N-(4-chloro-2-fluorophenyl)-8-oxo-1,9-dihydropyrrolo[3,2-h]quinoline-3-sulfonamide has a molecular weight of 391.81 g/mol, XLogP of 3.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-8-oxo-1,9-dihydropyrrolo[3,2-h]quinoline-3-sulfonamide is sourced from PubChem (CID 142393388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).