N-[4-(2-imidazol-1-ylacetyl)phenyl]methanesulfonamide

C12H13N3O3S — CID 3059770

IUPACN-[4-(2-imidazol-1-ylacetyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Cn2ccnc2)cc1
InChIInChI=1S/C12H13N3O3S/c1-19(17,18)14-11-4-2-10(3-5-11)12(16)8-15-7-6-13-9-15/h2-7,9,14H,8H2,1H3
InChIKeyBFYOQCIUAUMPRK-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.14
Rot. Bonds5

About N-[4-(2-imidazol-1-ylacetyl)phenyl]methanesulfonamide

N-[4-(2-imidazol-1-ylacetyl)phenyl]methanesulfonamide (PubChem CID 3059770) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-[4-(2-imidazol-1-ylacetyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-imidazol-1-ylacetyl)phenyl]methanesulfonamide
PubChem CID3059770
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-[4-(2-imidazol-1-ylacetyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Cn2ccnc2)cc1
InChIInChI=1S/C12H13N3O3S/c1-19(17,18)14-11-4-2-10(3-5-11)12(16)8-15-7-6-13-9-15/h2-7,9,14H,8H2,1H3
InChIKeyBFYOQCIUAUMPRK-UHFFFAOYSA-N
XLogP1.14
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-imidazol-1-ylacetyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2-imidazol-1-ylacetyl)phenyl]methanesulfonamide (CID 3059770) is N-[4-(2-imidazol-1-ylacetyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2-imidazol-1-ylacetyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2-imidazol-1-ylacetyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)Cn2ccnc2)cc1.
What is the InChIKey of N-[4-(2-imidazol-1-ylacetyl)phenyl]methanesulfonamide?
The InChIKey is BFYOQCIUAUMPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-19(17,18)14-11-4-2-10(3-5-11)12(16)8-15-7-6-13-9-15/h2-7,9,14H,8H2,1H3.
What are the key properties of N-[4-(2-imidazol-1-ylacetyl)phenyl]methanesulfonamide?
N-[4-(2-imidazol-1-ylacetyl)phenyl]methanesulfonamide has a molecular weight of 279.32 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-imidazol-1-ylacetyl)phenyl]methanesulfonamide is sourced from PubChem (CID 3059770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).