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

C12H10ClN3O4S — CID 63260229

IUPAC3-[(3-chloro-2-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C12H10ClN3O4S/c1-7-8(13)3-2-4-9(7)21(19,20)16-11-10(12(17)18)14-5-6-15-11/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyJNADJTIUZZQDJA-UHFFFAOYSA-N
MW327.75 g/mol
LogP1.94
Rot. Bonds4

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

3-[(3-chloro-2-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid (PubChem CID 63260229) has the molecular formula C12H10ClN3O4S and a molecular weight of 327.75 g/mol. Its IUPAC name is 3-[(3-chloro-2-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-chloro-2-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid
PubChem CID63260229
Molecular FormulaC12H10ClN3O4S
Molecular Weight327.75 g/mol
Exact Mass327.01
IUPAC Name3-[(3-chloro-2-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C12H10ClN3O4S/c1-7-8(13)3-2-4-9(7)21(19,20)16-11-10(12(17)18)14-5-6-15-11/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyJNADJTIUZZQDJA-UHFFFAOYSA-N
XLogP1.94
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.75
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 5,6-dichloro-3-[(3-chloro-2-methylphenyl)sulfonylamino]pyrazine-2-carboxylate
CID 172435250
3-(4-Chloro-3-trifluoromethyl-benzenesulfonylamino)-pyrazine-2-carboxylic acid
CID 57942381
3-(4-Chloro-3-trifluoromethyl-benzenesulfonylamino)-pyrazine-2-carboxylic acid methyl ester
CID 57942622
Methyl 3-[(2-chloro-3,6-difluorophenyl)methylsulfonylamino]pyrazine-2-carboxylate
CID 59623733
Methyl 3-[[2-chloro-3-(trifluoromethyl)phenyl]methylsulfonylamino]pyrazine-2-carboxylate
CID 66639730
Methyl 3-[(2,4-dichloro-5-fluorophenyl)methylsulfonylamino]pyrazine-2-carboxylate
CID 66639780
3-[(2-Chloro-6-fluoro-3-methylphenyl)methylsulfonyl-ethylamino]pyrazine-2-carboxylic acid
CID 68437000
Methyl 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfanylamino]pyrazine-2-carboxylate
CID 89302372
3-[(2,4-Dichloro-5-fluorophenyl)methylsulfonyl-ethylamino]pyrazine-2-carboxylic acid
CID 141326673
3-[[2-Chloro-5-(trifluoromethyl)phenyl]methylsulfonyl-methylamino]pyrazine-2-carboxylic acid
CID 141326678
3-[[2-Chloro-3-(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]pyrazine-2-carboxylic acid
CID 141326682
3-[[2-Chloro-6-(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]pyrazine-2-carboxylic acid
CID 141326691

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(3-chloro-2-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid (CID 63260229) is 3-[(3-chloro-2-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(3-chloro-2-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(3-chloro-2-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid is Cc1c(Cl)cccc1S(=O)(=O)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-[(3-chloro-2-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The InChIKey is JNADJTIUZZQDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O4S/c1-7-8(13)3-2-4-9(7)21(19,20)16-11-10(12(17)18)14-5-6-15-11/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[(3-chloro-2-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid?
3-[(3-chloro-2-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid has a molecular weight of 327.75 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63260229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).