N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide

C12H13N3O2S — CID 122263618

IUPACN-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccccc2)ncn1
InChIInChI=1S/C12H13N3O2S/c1-10-7-11(14-9-13-10)8-15-18(16,17)12-5-3-2-4-6-12/h2-7,9,15H,8H2,1H3
InChIKeyQZGZVOPTFNMXGH-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.26
Rot. Bonds4

About N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide

N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide (PubChem CID 122263618) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide
PubChem CID122263618
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccccc2)ncn1
InChIInChI=1S/C12H13N3O2S/c1-10-7-11(14-9-13-10)8-15-18(16,17)12-5-3-2-4-6-12/h2-7,9,15H,8H2,1H3
InChIKeyQZGZVOPTFNMXGH-UHFFFAOYSA-N
XLogP1.26
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122263634
N-[(6-methylpyrimidin-4-yl)methyl]-1-phenylmethanesulfonamide
CID 122263674
2-methyl-N-[4-[(6-methylpyrimidin-4-yl)methylsulfamoyl]phenyl]propanamide
CID 122263675
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833682
3,5-dimethyl-N-[(6-phenylpyrimidin-4-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 122262152
4-fluoro-2-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122262233
4-bromo-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122264128
2-(2-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263387
2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 70846240
3-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110738003
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 166611174

Frequently Asked Questions

What is the IUPAC name of N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide (CID 122263618) is N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide is Cc1cc(CNS(=O)(=O)c2ccccc2)ncn1.
What is the InChIKey of N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is QZGZVOPTFNMXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-10-7-11(14-9-13-10)8-15-18(16,17)12-5-3-2-4-6-12/h2-7,9,15H,8H2,1H3.
What are the key properties of N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide?
N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 263.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122263618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).