N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine

C20H16FN3O3S — CID 50940069

IUPACN-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccnc(Nc4ccc(F)cc4)c32)cc1
InChIInChI=1S/C20H16FN3O3S/c1-27-17-6-8-18(9-7-17)28(25,26)24-13-11-14-10-12-22-20(19(14)24)23-16-4-2-15(21)3-5-16/h2-13H,1H3,(H,22,23)
InChIKeyCMDHFGSTWADFIY-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.16
Rot. Bonds5

About N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine

N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine (PubChem CID 50940069) has the molecular formula C20H16FN3O3S and a molecular weight of 397.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine
PubChem CID50940069
Molecular FormulaC20H16FN3O3S
Molecular Weight397.43 g/mol
Exact Mass397.09
IUPAC NameN-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccnc(Nc4ccc(F)cc4)c32)cc1
InChIInChI=1S/C20H16FN3O3S/c1-27-17-6-8-18(9-7-17)28(25,26)24-13-11-14-10-12-22-20(19(14)24)23-16-4-2-15(21)3-5-16/h2-13H,1H3,(H,22,23)
InChIKeyCMDHFGSTWADFIY-UHFFFAOYSA-N
XLogP4.16
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-((4-hydroxyphenyl)amino)-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 3035714
4-methoxy-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1636052
1-(4-Methoxy-benzenesulfonyl)-3-piperidin-3-yl-1H-indole
CID 9969402
N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N'-(4-methoxyquinolin-2-yl)propane-1,3-diamine
CID 10185400
2-(1-((4-methoxyphenyl)sulfonyl)piperidin-4-yl)-1H-benzo[d]imidazole
CID 16582832
4-[[[3-(3-Methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 25206490
4-[[1-(4-Methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-yl]amino]phenol
CID 50940066
N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine
CID 50940068
1-(4-methoxy-benzenesulfonyl)-7-phenyl-1H-pyrrolo[2,3-c]pyridine
CID 50940070
7-(4-Fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine
CID 50940072
4-[1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-yl]-N,N-dimethylaniline
CID 50940179
7-(4-Methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine
CID 50940180

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine?
The IUPAC name of N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine (CID 50940069) is N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine.
What is the SMILES notation for N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine?
The canonical SMILES for N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine is COc1ccc(S(=O)(=O)n2ccc3ccnc(Nc4ccc(F)cc4)c32)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine?
The InChIKey is CMDHFGSTWADFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3S/c1-27-17-6-8-18(9-7-17)28(25,26)24-13-11-14-10-12-22-20(19(14)24)23-16-4-2-15(21)3-5-16/h2-13H,1H3,(H,22,23).
What are the key properties of N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine?
N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine has a molecular weight of 397.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine is sourced from PubChem (CID 50940069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).