Sulfaperin

C11H12N4O2S — CID 68933

IUPAC4-amino-N-(5-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCC1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N
InChIInChI=1S/C11H12N4O2S/c1-8-6-13-11(14-7-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)
InChIKeyDZQVFHSCSRACSX-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.30
Rot. Bonds3

About Sulfaperin

Sulfaperin (PubChem CID 68933) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 4-amino-N-(5-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameSulfaperin
PubChem CID68933
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name4-amino-N-(5-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCC1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N
InChIInChI=1S/C11H12N4O2S/c1-8-6-13-11(14-7-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)
InChIKeyDZQVFHSCSRACSX-UHFFFAOYSA-N
XLogP0.30
TPSA106.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity352

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Sulfamethazine
CID 5327
Sulfameter
CID 5326
Sulfapyridine
CID 5336
Sulfadiazine
CID 5215
Sulfamerazine
CID 5325
Silver Sulfadiazine
CID 441244
Sulfisomidine
CID 5343
Sulfamethazine Sodium
CID 13456556
Acetylsulfadiazine
CID 64952
N4-Acetylsulfamerazine
CID 67181
Silver, [4-amino-N-(2-pyrimidinyl-kappaN1)benzenesulfonamidato-kappaO]-
CID 5459124
Sulfadiazine Sodium
CID 15899898

Frequently Asked Questions

What is the IUPAC name of Sulfaperin?
The IUPAC name of Sulfaperin (CID 68933) is 4-amino-N-(5-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for Sulfaperin?
The canonical SMILES for Sulfaperin is CC1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N.
What is the InChIKey of Sulfaperin?
The InChIKey is DZQVFHSCSRACSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-8-6-13-11(14-7-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15).
What are the key properties of Sulfaperin?
Sulfaperin has a molecular weight of 264.31 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Sulfaperin is sourced from PubChem (CID 68933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).