5-(6-chloro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridin-4-one

C19H14ClN3O3S — CID 177335993

IUPAC5-(6-chloro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridin-4-one
SMILESCc1ccc(S(=O)(=O)n2ccc3c(=O)n(-c4ccc(Cl)nc4)ccc32)cc1
InChIInChI=1S/C19H14ClN3O3S/c1-13-2-5-15(6-3-13)27(25,26)23-11-8-16-17(23)9-10-22(19(16)24)14-4-7-18(20)21-12-14/h2-12H,1H3
InChIKeyYUOGUJFREAVHMI-UHFFFAOYSA-N
MW399.86 g/mol
LogP3.39
Rot. Bonds3

About 5-(6-chloro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridin-4-one

5-(6-chloro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridin-4-one (PubChem CID 177335993) has the molecular formula C19H14ClN3O3S and a molecular weight of 399.86 g/mol. Its IUPAC name is 5-(6-chloro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-(6-chloro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridin-4-one
PubChem CID177335993
Molecular FormulaC19H14ClN3O3S
Molecular Weight399.86 g/mol
Exact Mass399.04
IUPAC Name5-(6-chloro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridin-4-one
SMILESCc1ccc(S(=O)(=O)n2ccc3c(=O)n(-c4ccc(Cl)nc4)ccc32)cc1
InChIInChI=1S/C19H14ClN3O3S/c1-13-2-5-15(6-3-13)27(25,26)23-11-8-16-17(23)9-10-22(19(16)24)14-4-7-18(20)21-12-14/h2-12H,1H3
InChIKeyYUOGUJFREAVHMI-UHFFFAOYSA-N
XLogP3.39
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(6-chloro-3-pyridinyl)sulfonyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 7509881
4-chloro-7-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]pyrrolo[2,3-d]pyrimidine
CID 175673414
CID 164970592
CID 164970592
1-(4-methylphenyl)sulfonylindole-4-carbaldehyde
CID 13115093
4-(bromomethyl)-1-(4-methylphenyl)sulfonylindole
CID 13044879
5-indol-1-yl-1-(4-methylphenyl)sulfonylindole
CID 177408616
1-(4-methylphenyl)sulfonyl-7H-pyrrolo[2,3-b]pyridin-4-one
CID 151544387
5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine
CID 67078609
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
3-[1-(4-methylphenyl)sulfonylindol-4-yl]oxypropan-1-ol
CID 11725119
1-(4-methylphenyl)sulfonyl-4H-pyrrolo[3,2-b]pyridin-5-one
CID 162343729
4-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
CID 58691740

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 5-(6-chloro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridin-4-one (CID 177335993) is 5-(6-chloro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-(6-chloro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 5-(6-chloro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridin-4-one is Cc1ccc(S(=O)(=O)n2ccc3c(=O)n(-c4ccc(Cl)nc4)ccc32)cc1.
What is the InChIKey of 5-(6-chloro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridin-4-one?
The InChIKey is YUOGUJFREAVHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3S/c1-13-2-5-15(6-3-13)27(25,26)23-11-8-16-17(23)9-10-22(19(16)24)14-4-7-18(20)21-12-14/h2-12H,1H3.
What are the key properties of 5-(6-chloro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridin-4-one?
5-(6-chloro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridin-4-one has a molecular weight of 399.86 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 177335993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).