3-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide

C10H9ClN4O2S — CID 10401646

IUPAC3-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2cncc(Cl)n2)c1
InChIInChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(15-9)14-7-2-1-3-8(4-7)18(12,16)17/h1-6H,(H,14,15)(H2,12,16,17)
InChIKeyAYXMAHPQNGICCN-UHFFFAOYSA-N
MW284.73 g/mol
LogP1.52
Rot. Bonds3

About 3-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide

3-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide (PubChem CID 10401646) has the molecular formula C10H9ClN4O2S and a molecular weight of 284.73 g/mol. Its IUPAC name is 3-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide
PubChem CID10401646
Molecular FormulaC10H9ClN4O2S
Molecular Weight284.73 g/mol
Exact Mass284.01
IUPAC Name3-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2cncc(Cl)n2)c1
InChIInChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(15-9)14-7-2-1-3-8(4-7)18(12,16)17/h1-6H,(H,14,15)(H2,12,16,17)
InChIKeyAYXMAHPQNGICCN-UHFFFAOYSA-N
XLogP1.52
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.73
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(3-sulfamoylanilino)-1H-pyrazol-5-yl]amino]benzenesulfonamide
CID 135063681
3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide
CID 153326122
3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 14347156
4-[(6-chloropyrazin-2-yl)amino]-2-methylbenzoic acid
CID 114335396
3-(1,3-benzothiazol-2-ylamino)benzenesulfonamide
CID 29067972
methyl N-[(3-sulfamoylphenyl)sulfamoyl]carbamate
CID 113343903
benzene-1,3-disulfonamide
CID 3090044
2-chloro-N-(3-sulfamoylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427451
3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 26580558
3-[[4-(3-aminoanilino)-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide
CID 59174760
3-methoxy-N-(3-sulfamoylphenyl)pyridine-4-carboxamide
CID 105064331
6-hydrazinyl-N-(3-sulfamoylphenyl)pyridazine-3-carboxamide
CID 62236922

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 3-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide (CID 10401646) is 3-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 3-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 3-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide is NS(=O)(=O)c1cccc(Nc2cncc(Cl)n2)c1.
What is the InChIKey of 3-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide?
The InChIKey is AYXMAHPQNGICCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(15-9)14-7-2-1-3-8(4-7)18(12,16)17/h1-6H,(H,14,15)(H2,12,16,17).
What are the key properties of 3-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide?
3-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide has a molecular weight of 284.73 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 10401646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).