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

C15H13ClN2O3S — CID 162469871

IUPAC[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCc1ccc(S(=O)(=O)n2cc(CO)c3c(Cl)ccnc32)cc1
InChIInChI=1S/C15H13ClN2O3S/c1-10-2-4-12(5-3-10)22(20,21)18-8-11(9-19)14-13(16)6-7-17-15(14)18/h2-8,19H,9H2,1H3
InChIKeyBXWXPKAZJRMUFY-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.73
Rot. Bonds3

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

[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 162469871) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is [4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID162469871
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC Name[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCc1ccc(S(=O)(=O)n2cc(CO)c3c(Cl)ccnc32)cc1
InChIInChI=1S/C15H13ClN2O3S/c1-10-2-4-12(5-3-10)22(20,21)18-8-11(9-19)14-13(16)6-7-17-15(14)18/h2-8,19H,9H2,1H3
InChIKeyBXWXPKAZJRMUFY-UHFFFAOYSA-N
XLogP2.73
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 11638352
4-chloro-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 90226236
4-chloro-1-(4-methylphenyl)sulfonyl-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
CID 118190178
4-chloro-3-(2-chloro-3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 90226237
3-[4-(azetidin-1-ylsulfinyl)phenyl]-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;ethane
CID 144646943
3-bromo-4-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 146169458
(4-chloro-3-ethylpyrrolo[2,3-b]pyridin-1-yl)sulfonylmethyl-methylidenephosphane
CID 91503770
4-fluoro-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine
CID 146169459
2,4-bis[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pentan-3-one
CID 174632691
[4-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanol
CID 23082148
[4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methanol
CID 68791607
N-[3-fluoro-4-[3-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide
CID 59740986

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of [4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methanol (CID 162469871) is [4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for [4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for [4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methanol is Cc1ccc(S(=O)(=O)n2cc(CO)c3c(Cl)ccnc32)cc1.
What is the InChIKey of [4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is BXWXPKAZJRMUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c1-10-2-4-12(5-3-10)22(20,21)18-8-11(9-19)14-13(16)6-7-17-15(14)18/h2-8,19H,9H2,1H3.
What are the key properties of [4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methanol?
[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 336.80 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 162469871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).