4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

C11H12N4O2S — CID 5325

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IUPAC4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1
InChIInChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)
InChIKeyQPPBRPIAZZHUNT-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.17
Rot. Bonds3

About 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 5325) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID5325
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1
InChIInChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)
InChIKeyQPPBRPIAZZHUNT-UHFFFAOYSA-N
XLogP1.17
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.17
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

Sulfamethazine
CID 5327
Sulfameter
CID 5326
Sulfapyridine
CID 5336
Sulfadiazine
CID 5215
Silver Sulfadiazine
CID 441244
Sulfisomidine
CID 5343
Sulfaperin
CID 68933
Sulfamethazine Sodium
CID 13456556
Acetylsulfadiazine
CID 64952
N4-Acetylsulfamethazine
CID 66855
N4-Acetylsulfamerazine
CID 67181
Sulfadiazine Sodium
CID 15899898

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (CID 5325) is 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1.
What is the InChIKey of 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is QPPBRPIAZZHUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)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 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 264.31 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 5325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).