3-[(4-bromo-3-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid

C12H10BrN3O4S — CID 63259921

IUPAC3-[(4-bromo-3-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2nccnc2C(=O)O)ccc1Br
InChIInChI=1S/C12H10BrN3O4S/c1-7-6-8(2-3-9(7)13)21(19,20)16-11-10(12(17)18)14-4-5-15-11/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyFCEDSHXDMVWDLH-UHFFFAOYSA-N
MW372.20 g/mol
LogP2.05
Rot. Bonds4

About 3-[(4-bromo-3-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid

3-[(4-bromo-3-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid (PubChem CID 63259921) has the molecular formula C12H10BrN3O4S and a molecular weight of 372.20 g/mol. Its IUPAC name is 3-[(4-bromo-3-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-bromo-3-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid
PubChem CID63259921
Molecular FormulaC12H10BrN3O4S
Molecular Weight372.20 g/mol
Exact Mass370.96
IUPAC Name3-[(4-bromo-3-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2nccnc2C(=O)O)ccc1Br
InChIInChI=1S/C12H10BrN3O4S/c1-7-6-8(2-3-9(7)13)21(19,20)16-11-10(12(17)18)14-4-5-15-11/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyFCEDSHXDMVWDLH-UHFFFAOYSA-N
XLogP2.05
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.20
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-Bromophenyl)methylsulfonyl-(2,2-difluoroethyl)amino]pyrazine-2-carboxylic acid
CID 141326669
3-[[2-Bromo-5-(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]pyrazine-2-carboxylic acid
CID 141326677
3-[(2-Fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63259779
3-[(4-Fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63259780
3-[(2-Fluoro-5-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63260187
3-[(3-Fluoro-4-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63260188
3-[(2-Bromo-4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63260274
3-[(4-Fluoro-2-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63260318
3-[(5-Fluoro-2-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63260356
3-[(3-Fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63260394
3-[(4-Fluorophenyl)methylsulfonylamino]pyrazine-2-carboxylic acid
CID 63260397
3-[(4-Bromo-3-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 107649888

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(4-bromo-3-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid (CID 63259921) is 3-[(4-bromo-3-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-bromo-3-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(4-bromo-3-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid is Cc1cc(S(=O)(=O)Nc2nccnc2C(=O)O)ccc1Br.
What is the InChIKey of 3-[(4-bromo-3-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The InChIKey is FCEDSHXDMVWDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O4S/c1-7-6-8(2-3-9(7)13)21(19,20)16-11-10(12(17)18)14-4-5-15-11/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[(4-bromo-3-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid?
3-[(4-bromo-3-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid has a molecular weight of 372.20 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-3-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63259921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).