N-[3-(4-imidazol-1-ylpyrimidin-2-yl)phenyl]methanesulfonamide

C14H13N5O2S — CID 3234914

IUPACN-[3-(4-imidazol-1-ylpyrimidin-2-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2nccc(-n3ccnc3)n2)c1
InChIInChI=1S/C14H13N5O2S/c1-22(20,21)18-12-4-2-3-11(9-12)14-16-6-5-13(17-14)19-8-7-15-10-19/h2-10,18H,1H3
InChIKeyUGJVRSZJQAHWPK-UHFFFAOYSA-N
MW315.36 g/mol
LogP1.70
Rot. Bonds4

About N-[3-(4-imidazol-1-ylpyrimidin-2-yl)phenyl]methanesulfonamide

N-[3-(4-imidazol-1-ylpyrimidin-2-yl)phenyl]methanesulfonamide (PubChem CID 3234914) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is N-[3-(4-imidazol-1-ylpyrimidin-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-imidazol-1-ylpyrimidin-2-yl)phenyl]methanesulfonamide
PubChem CID3234914
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC NameN-[3-(4-imidazol-1-ylpyrimidin-2-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2nccc(-n3ccnc3)n2)c1
InChIInChI=1S/C14H13N5O2S/c1-22(20,21)18-12-4-2-3-11(9-12)14-16-6-5-13(17-14)19-8-7-15-10-19/h2-10,18H,1H3
InChIKeyUGJVRSZJQAHWPK-UHFFFAOYSA-N
XLogP1.70
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-imidazol-1-ylpyrimidin-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(4-imidazol-1-ylpyrimidin-2-yl)phenyl]methanesulfonamide (CID 3234914) is N-[3-(4-imidazol-1-ylpyrimidin-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-imidazol-1-ylpyrimidin-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(4-imidazol-1-ylpyrimidin-2-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2nccc(-n3ccnc3)n2)c1.
What is the InChIKey of N-[3-(4-imidazol-1-ylpyrimidin-2-yl)phenyl]methanesulfonamide?
The InChIKey is UGJVRSZJQAHWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-22(20,21)18-12-4-2-3-11(9-12)14-16-6-5-13(17-14)19-8-7-15-10-19/h2-10,18H,1H3.
What are the key properties of N-[3-(4-imidazol-1-ylpyrimidin-2-yl)phenyl]methanesulfonamide?
N-[3-(4-imidazol-1-ylpyrimidin-2-yl)phenyl]methanesulfonamide has a molecular weight of 315.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-imidazol-1-ylpyrimidin-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 3234914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).