N-[(6-methylpyrimidin-4-yl)methyl]-1-phenylmethanesulfonamide

C13H15N3O2S — CID 122263674

IUPACN-[(6-methylpyrimidin-4-yl)methyl]-1-phenylmethanesulfonamide
SMILESCc1cc(CNS(=O)(=O)Cc2ccccc2)ncn1
InChIInChI=1S/C13H15N3O2S/c1-11-7-13(15-10-14-11)8-16-19(17,18)9-12-5-3-2-4-6-12/h2-7,10,16H,8-9H2,1H3
InChIKeyCFJWACRXMFWHBU-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.40
Rot. Bonds5

About N-[(6-methylpyrimidin-4-yl)methyl]-1-phenylmethanesulfonamide

N-[(6-methylpyrimidin-4-yl)methyl]-1-phenylmethanesulfonamide (PubChem CID 122263674) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[(6-methylpyrimidin-4-yl)methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(6-methylpyrimidin-4-yl)methyl]-1-phenylmethanesulfonamide
PubChem CID122263674
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-[(6-methylpyrimidin-4-yl)methyl]-1-phenylmethanesulfonamide
SMILESCc1cc(CNS(=O)(=O)Cc2ccccc2)ncn1
InChIInChI=1S/C13H15N3O2S/c1-11-7-13(15-10-14-11)8-16-19(17,18)9-12-5-3-2-4-6-12/h2-7,10,16H,8-9H2,1H3
InChIKeyCFJWACRXMFWHBU-UHFFFAOYSA-N
XLogP1.40
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methylpyrimidin-4-yl)methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(6-methylpyrimidin-4-yl)methyl]-1-phenylmethanesulfonamide (CID 122263674) is N-[(6-methylpyrimidin-4-yl)methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(6-methylpyrimidin-4-yl)methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(6-methylpyrimidin-4-yl)methyl]-1-phenylmethanesulfonamide is Cc1cc(CNS(=O)(=O)Cc2ccccc2)ncn1.
What is the InChIKey of N-[(6-methylpyrimidin-4-yl)methyl]-1-phenylmethanesulfonamide?
The InChIKey is CFJWACRXMFWHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-11-7-13(15-10-14-11)8-16-19(17,18)9-12-5-3-2-4-6-12/h2-7,10,16H,8-9H2,1H3.
What are the key properties of N-[(6-methylpyrimidin-4-yl)methyl]-1-phenylmethanesulfonamide?
N-[(6-methylpyrimidin-4-yl)methyl]-1-phenylmethanesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 1.40, 5 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]-1-phenylmethanesulfonamide is sourced from PubChem (CID 122263674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).