[2-(3-methylpyrazin-2-yl)sulfonylphenyl]carbamic acid

C12H11N3O4S — CID 70445513

IUPAC[2-(3-methylpyrazin-2-yl)sulfonylphenyl]carbamic acid
SMILESCc1nccnc1S(=O)(=O)c1ccccc1NC(=O)O
InChIInChI=1S/C12H11N3O4S/c1-8-11(14-7-6-13-8)20(18,19)10-5-3-2-4-9(10)15-12(16)17/h2-7,15H,1H3,(H,16,17)
InChIKeyDSJAESXQGMFTRS-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.71
Rot. Bonds3

About [2-(3-methylpyrazin-2-yl)sulfonylphenyl]carbamic acid

[2-(3-methylpyrazin-2-yl)sulfonylphenyl]carbamic acid (PubChem CID 70445513) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is [2-(3-methylpyrazin-2-yl)sulfonylphenyl]carbamic acid.

Molecular Properties

Compound Name[2-(3-methylpyrazin-2-yl)sulfonylphenyl]carbamic acid
PubChem CID70445513
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name[2-(3-methylpyrazin-2-yl)sulfonylphenyl]carbamic acid
SMILESCc1nccnc1S(=O)(=O)c1ccccc1NC(=O)O
InChIInChI=1S/C12H11N3O4S/c1-8-11(14-7-6-13-8)20(18,19)10-5-3-2-4-9(10)15-12(16)17/h2-7,15H,1H3,(H,16,17)
InChIKeyDSJAESXQGMFTRS-UHFFFAOYSA-N
XLogP1.71
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(benzenesulfonyl)phenyl]carbamic acid;hydrochloride
CID 140973464
(2-phenyl-3-pyridinyl)carbamic acid
CID 67312997
3-methyl-N-(2-sulfamoylphenyl)pyridine-2-carboxamide
CID 62340174
1,1-diphenyl-3-(2-sulfamoylphenyl)urea
CID 3622343
4-methyl-N-(2-sulfamoylphenyl)-1,3-thiazole-5-carboxamide
CID 61130905
N-[2-(benzenesulfonyl)phenyl]quinoline-5-carboxamide
CID 142723873
[2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamic acid
CID 142858663
5-methyl-N-(2-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 52560390
5-amino-2-methyl-N-(2-methylsulfonylphenyl)pyridine-3-carboxamide
CID 61112376
(2-bromophenyl)carbamic acid
CID 15021878
[2-(hydroxymethyl)-3-pyridinyl]carbamic acid
CID 69010841
methyl N-(2-methylsulfonylphenyl)carbamate
CID 117062831

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylpyrazin-2-yl)sulfonylphenyl]carbamic acid?
The IUPAC name of [2-(3-methylpyrazin-2-yl)sulfonylphenyl]carbamic acid (CID 70445513) is [2-(3-methylpyrazin-2-yl)sulfonylphenyl]carbamic acid.
What is the SMILES notation for [2-(3-methylpyrazin-2-yl)sulfonylphenyl]carbamic acid?
The canonical SMILES for [2-(3-methylpyrazin-2-yl)sulfonylphenyl]carbamic acid is Cc1nccnc1S(=O)(=O)c1ccccc1NC(=O)O.
What is the InChIKey of [2-(3-methylpyrazin-2-yl)sulfonylphenyl]carbamic acid?
The InChIKey is DSJAESXQGMFTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c1-8-11(14-7-6-13-8)20(18,19)10-5-3-2-4-9(10)15-12(16)17/h2-7,15H,1H3,(H,16,17).
What are the key properties of [2-(3-methylpyrazin-2-yl)sulfonylphenyl]carbamic acid?
[2-(3-methylpyrazin-2-yl)sulfonylphenyl]carbamic acid has a molecular weight of 293.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylpyrazin-2-yl)sulfonylphenyl]carbamic acid is sourced from PubChem (CID 70445513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).