[3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazin-2-yl]methanol

C14H13N3O3S — CID 141256016

IUPAC[3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazin-2-yl]methanol
SMILESCc1cccc(S(=O)(=O)c2nc3[nH]ccc3nc2CO)c1
InChIInChI=1S/C14H13N3O3S/c1-9-3-2-4-10(7-9)21(19,20)14-12(8-18)16-11-5-6-15-13(11)17-14/h2-7,18H,8H2,1H3,(H,15,17)
InChIKeyHYLRUFWCKMUZBI-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.59
Rot. Bonds3

About [3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazin-2-yl]methanol

[3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazin-2-yl]methanol (PubChem CID 141256016) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is [3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazin-2-yl]methanol
PubChem CID141256016
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name[3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazin-2-yl]methanol
SMILESCc1cccc(S(=O)(=O)c2nc3[nH]ccc3nc2CO)c1
InChIInChI=1S/C14H13N3O3S/c1-9-3-2-4-10(7-9)21(19,20)14-12(8-18)16-11-5-6-15-13(11)17-14/h2-7,18H,8H2,1H3,(H,15,17)
InChIKeyHYLRUFWCKMUZBI-UHFFFAOYSA-N
XLogP1.59
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-1-[3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazin-2-yl]ethanamine;hydrochloride
CID 141383368
2-[(E)-3-cyclohexylprop-1-enyl]-3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazine
CID 141393864
2-[(3-methylphenyl)sulfonyl-(5H-pyrrolo[2,3-b]pyrazin-2-yl)amino]acetamide
CID 141383298
2-bromo-7-iodo-3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazine
CID 175416588
3-(3-methylphenyl)sulfonylphenol
CID 134285490
4-(3-methylphenyl)sulfonylphenol
CID 19739466
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107232038
[1-(3-methylphenyl)sulfonylcyclopropyl]methanol
CID 115035637
3-methyl-6-(3-methylphenyl)sulfonylbenzene-1,2-diol
CID 101301677
sodium 3-methylbenzenesulfonate
CID 23684709
1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene
CID 5134322
(3-methylphenyl)sulfonylazanide
CID 158627668

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazin-2-yl]methanol?
The IUPAC name of [3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazin-2-yl]methanol (CID 141256016) is [3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazin-2-yl]methanol.
What is the SMILES notation for [3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazin-2-yl]methanol?
The canonical SMILES for [3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazin-2-yl]methanol is Cc1cccc(S(=O)(=O)c2nc3[nH]ccc3nc2CO)c1.
What is the InChIKey of [3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazin-2-yl]methanol?
The InChIKey is HYLRUFWCKMUZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-9-3-2-4-10(7-9)21(19,20)14-12(8-18)16-11-5-6-15-13(11)17-14/h2-7,18H,8H2,1H3,(H,15,17).
What are the key properties of [3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazin-2-yl]methanol?
[3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazin-2-yl]methanol has a molecular weight of 303.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazin-2-yl]methanol is sourced from PubChem (CID 141256016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).