2-amino-6-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide

C10H8Cl2N4O2S — CID 116794709

IUPAC2-amino-6-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide
SMILESNc1cccc(Cl)c1S(=O)(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C10H8Cl2N4O2S/c11-6-2-1-3-7(13)9(6)19(17,18)16-8-4-5-14-10(12)15-8/h1-5H,13H2,(H,14,15,16)
InChIKeyHAIFYWUXAYICHY-UHFFFAOYSA-N
MW319.17 g/mol
LogP2.17
Rot. Bonds3

About 2-amino-6-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide

2-amino-6-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide (PubChem CID 116794709) has the molecular formula C10H8Cl2N4O2S and a molecular weight of 319.17 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide
PubChem CID116794709
Molecular FormulaC10H8Cl2N4O2S
Molecular Weight319.17 g/mol
Exact Mass317.97
IUPAC Name2-amino-6-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide
SMILESNc1cccc(Cl)c1S(=O)(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C10H8Cl2N4O2S/c11-6-2-1-3-7(13)9(6)19(17,18)16-8-4-5-14-10(12)15-8/h1-5H,13H2,(H,14,15,16)
InChIKeyHAIFYWUXAYICHY-UHFFFAOYSA-N
XLogP2.17
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-amino-6-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide (CID 116794709) is 2-amino-6-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide is Nc1cccc(Cl)c1S(=O)(=O)Nc1ccnc(Cl)n1.
What is the InChIKey of 2-amino-6-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide?
The InChIKey is HAIFYWUXAYICHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O2S/c11-6-2-1-3-7(13)9(6)19(17,18)16-8-4-5-14-10(12)15-8/h1-5H,13H2,(H,14,15,16).
What are the key properties of 2-amino-6-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide?
2-amino-6-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide has a molecular weight of 319.17 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 116794709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).