[2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)phenyl]methanol

C13H14ClN3O3S — CID 107090764

IUPAC[2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)phenyl]methanol
SMILESO=S(=O)(c1ccc(CO)c(Cl)c1)N1CCn2ccnc2C1
InChIInChI=1S/C13H14ClN3O3S/c14-12-7-11(2-1-10(12)9-18)21(19,20)17-6-5-16-4-3-15-13(16)8-17/h1-4,7,18H,5-6,8-9H2
InChIKeyUJMLVZRMQPQPCK-UHFFFAOYSA-N
MW327.79 g/mol
LogP1.23
Rot. Bonds3

About [2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)phenyl]methanol

[2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)phenyl]methanol (PubChem CID 107090764) has the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol. Its IUPAC name is [2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)phenyl]methanol
PubChem CID107090764
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Exact Mass327.04
IUPAC Name[2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)phenyl]methanol
SMILESO=S(=O)(c1ccc(CO)c(Cl)c1)N1CCn2ccnc2C1
InChIInChI=1S/C13H14ClN3O3S/c14-12-7-11(2-1-10(12)9-18)21(19,20)17-6-5-16-4-3-15-13(16)8-17/h1-4,7,18H,5-6,8-9H2
InChIKeyUJMLVZRMQPQPCK-UHFFFAOYSA-N
XLogP1.23
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(2-chloro-4-pyridinyl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 55149786
7-[4-(2-chloroethyl)phenyl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 63021232
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)pyridin-2-amine
CID 63020721
[2-chloro-4-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]methanol
CID 107090687
[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-pyridinyl]hydrazine
CID 63024668
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-methoxyaniline
CID 63014254
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-1H-pyrrole-2-carboxylic acid
CID 63014472
5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline
CID 63013184
[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-4-fluorophenyl]methanamine
CID 102920759
2-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylsulfonyl)benzoic acid
CID 167769272
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-5-fluoroaniline
CID 63322328
[2-chloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanol
CID 107090579

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)phenyl]methanol?
The IUPAC name of [2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)phenyl]methanol (CID 107090764) is [2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)phenyl]methanol.
What is the SMILES notation for [2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)phenyl]methanol?
The canonical SMILES for [2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)phenyl]methanol is O=S(=O)(c1ccc(CO)c(Cl)c1)N1CCn2ccnc2C1.
What is the InChIKey of [2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)phenyl]methanol?
The InChIKey is UJMLVZRMQPQPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S/c14-12-7-11(2-1-10(12)9-18)21(19,20)17-6-5-16-4-3-15-13(16)8-17/h1-4,7,18H,5-6,8-9H2.
What are the key properties of [2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)phenyl]methanol?
[2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)phenyl]methanol has a molecular weight of 327.79 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)phenyl]methanol is sourced from PubChem (CID 107090764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).