[4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methanol

C16H16N2O3S — CID 68791607

IUPAC[4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methanol
SMILESCc1ccc(S(=O)(=O)n2ccc3c(C)c(CO)cnc32)cc1
InChIInChI=1S/C16H16N2O3S/c1-11-3-5-14(6-4-11)22(20,21)18-8-7-15-12(2)13(10-19)9-17-16(15)18/h3-9,19H,10H2,1-2H3
InChIKeyCYFYFDQGUWPIFS-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.38
Rot. Bonds3

About [4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methanol

[4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methanol (PubChem CID 68791607) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is [4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methanol.

Molecular Properties

Compound Name[4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methanol
PubChem CID68791607
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name[4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methanol
SMILESCc1ccc(S(=O)(=O)n2ccc3c(C)c(CO)cnc32)cc1
InChIInChI=1S/C16H16N2O3S/c1-11-3-5-14(6-4-11)22(20,21)18-8-7-15-12(2)13(10-19)9-17-16(15)18/h3-9,19H,10H2,1-2H3
InChIKeyCYFYFDQGUWPIFS-UHFFFAOYSA-N
XLogP2.38
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N-methylethanamine
CID 67216563
5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine
CID 67078609
4-bromo-5-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 137347373
4-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
CID 58691740
N-[2-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]ethyl]butan-1-amine
CID 129131323
3-methyl-10-(4-methylphenyl)sulfonyl-3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 141466911
2-bromo-1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]ethanone
CID 58691725
ethyl 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-4-carboxylate
CID 135319162
[4-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanol
CID 23082148
CID 164970592
CID 164970592
4-chloro-5-[(Z)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 175140553
N-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide
CID 117074121

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methanol?
The IUPAC name of [4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methanol (CID 68791607) is [4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methanol.
What is the SMILES notation for [4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methanol?
The canonical SMILES for [4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methanol is Cc1ccc(S(=O)(=O)n2ccc3c(C)c(CO)cnc32)cc1.
What is the InChIKey of [4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methanol?
The InChIKey is CYFYFDQGUWPIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-11-3-5-14(6-4-11)22(20,21)18-8-7-15-12(2)13(10-19)9-17-16(15)18/h3-9,19H,10H2,1-2H3.
What are the key properties of [4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methanol?
[4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methanol has a molecular weight of 316.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methanol is sourced from PubChem (CID 68791607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).