3-amino-5-chloro-2-methyl-N-pyrazin-2-ylbenzenesulfonamide

C11H11ClN4O2S — CID 114379006

IUPAC3-amino-5-chloro-2-methyl-N-pyrazin-2-ylbenzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)Nc1cnccn1
InChIInChI=1S/C11H11ClN4O2S/c1-7-9(13)4-8(12)5-10(7)19(17,18)16-11-6-14-2-3-15-11/h2-6H,13H2,1H3,(H,15,16)
InChIKeyBFWZMBFTODQHAW-UHFFFAOYSA-N
MW298.75 g/mol
LogP1.82
Rot. Bonds3

About 3-amino-5-chloro-2-methyl-N-pyrazin-2-ylbenzenesulfonamide

3-amino-5-chloro-2-methyl-N-pyrazin-2-ylbenzenesulfonamide (PubChem CID 114379006) has the molecular formula C11H11ClN4O2S and a molecular weight of 298.75 g/mol. Its IUPAC name is 3-amino-5-chloro-2-methyl-N-pyrazin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-methyl-N-pyrazin-2-ylbenzenesulfonamide
PubChem CID114379006
Molecular FormulaC11H11ClN4O2S
Molecular Weight298.75 g/mol
Exact Mass298.03
IUPAC Name3-amino-5-chloro-2-methyl-N-pyrazin-2-ylbenzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)Nc1cnccn1
InChIInChI=1S/C11H11ClN4O2S/c1-7-9(13)4-8(12)5-10(7)19(17,18)16-11-6-14-2-3-15-11/h2-6H,13H2,1H3,(H,15,16)
InChIKeyBFWZMBFTODQHAW-UHFFFAOYSA-N
XLogP1.82
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-bromo-5-chloro-N-pyrazin-2-ylbenzenesulfonamide
CID 55153657
5-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide
CID 43616062
3-amino-2,5,6-trimethyl-N-pyrazin-2-ylbenzenesulfonamide
CID 106503931
3-amino-5-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 114378522
3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 114380364
3-amino-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide
CID 116791557
3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 114379018
5-chloro-2-fluoro-3-(pyrazin-2-ylsulfamoyl)benzoic acid
CID 43616100
3-amino-5-chloro-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
CID 107596287
3-amino-5-chloro-N-(3-chloro-5-fluorophenyl)-2-methylbenzenesulfonamide
CID 107363523
3-amino-5-chloro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 114380311
3-amino-5-chloro-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 114380301

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-methyl-N-pyrazin-2-ylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-methyl-N-pyrazin-2-ylbenzenesulfonamide (CID 114379006) is 3-amino-5-chloro-2-methyl-N-pyrazin-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-methyl-N-pyrazin-2-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-methyl-N-pyrazin-2-ylbenzenesulfonamide is Cc1c(N)cc(Cl)cc1S(=O)(=O)Nc1cnccn1.
What is the InChIKey of 3-amino-5-chloro-2-methyl-N-pyrazin-2-ylbenzenesulfonamide?
The InChIKey is BFWZMBFTODQHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2S/c1-7-9(13)4-8(12)5-10(7)19(17,18)16-11-6-14-2-3-15-11/h2-6H,13H2,1H3,(H,15,16).
What are the key properties of 3-amino-5-chloro-2-methyl-N-pyrazin-2-ylbenzenesulfonamide?
3-amino-5-chloro-2-methyl-N-pyrazin-2-ylbenzenesulfonamide has a molecular weight of 298.75 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-methyl-N-pyrazin-2-ylbenzenesulfonamide is sourced from PubChem (CID 114379006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).