2-methyl-N-pyrimidin-4-ylbenzenesulfonamide

C11H11N3O2S — CID 141412020

IUPAC2-methyl-N-pyrimidin-4-ylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccncn1
InChIInChI=1S/C11H11N3O2S/c1-9-4-2-3-5-10(9)17(15,16)14-11-6-7-12-8-13-11/h2-8H,1H3,(H,12,13,14)
InChIKeySNOSLIGNPDKLDT-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.59
Rot. Bonds3

About 2-methyl-N-pyrimidin-4-ylbenzenesulfonamide

2-methyl-N-pyrimidin-4-ylbenzenesulfonamide (PubChem CID 141412020) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-methyl-N-pyrimidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-pyrimidin-4-ylbenzenesulfonamide
PubChem CID141412020
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name2-methyl-N-pyrimidin-4-ylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccncn1
InChIInChI=1S/C11H11N3O2S/c1-9-4-2-3-5-10(9)17(15,16)14-11-6-7-12-8-13-11/h2-8H,1H3,(H,12,13,14)
InChIKeySNOSLIGNPDKLDT-UHFFFAOYSA-N
XLogP1.59
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-3-methyl-N-pyrimidin-4-ylbenzenesulfonamide
CID 142722053
formic acid;N-pyrimidin-4-ylbenzenesulfonamide
CID 139434719
N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 103862773
6-tert-butyl-5-methoxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide
CID 166648188
2-methyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955887
N-(3-chloropyrazin-2-yl)-2-methylbenzenesulfonamide
CID 102990036
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025926
N-[4-(pyrimidin-4-ylsulfamoyl)phenyl]acetamide
CID 121014999
2-(pyrimidin-4-ylamino)benzenesulfonamide
CID 69322582
N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113038430
N-[2-(methanesulfonamido)phenyl]-2-methylbenzenesulfonamide
CID 113093452

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pyrimidin-4-ylbenzenesulfonamide?
The IUPAC name of 2-methyl-N-pyrimidin-4-ylbenzenesulfonamide (CID 141412020) is 2-methyl-N-pyrimidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2-methyl-N-pyrimidin-4-ylbenzenesulfonamide?
The canonical SMILES for 2-methyl-N-pyrimidin-4-ylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccncn1.
What is the InChIKey of 2-methyl-N-pyrimidin-4-ylbenzenesulfonamide?
The InChIKey is SNOSLIGNPDKLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-9-4-2-3-5-10(9)17(15,16)14-11-6-7-12-8-13-11/h2-8H,1H3,(H,12,13,14).
What are the key properties of 2-methyl-N-pyrimidin-4-ylbenzenesulfonamide?
2-methyl-N-pyrimidin-4-ylbenzenesulfonamide has a molecular weight of 249.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pyrimidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 141412020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).