N-[4-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]methanesulfonamide

C12H15N3O2S — CID 90124221

IUPACN-[4-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]methanesulfonamide
SMILESCc1nc(-c2ccc(NS(C)(=O)=O)cc2)c(C)[nH]1
InChIInChI=1S/C12H15N3O2S/c1-8-12(14-9(2)13-8)10-4-6-11(7-5-10)15-18(3,16)17/h4-7,15H,1-3H3,(H,13,14)
InChIKeyWNQXTPGKTUEMJC-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.07
Rot. Bonds3

About N-[4-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]methanesulfonamide

N-[4-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]methanesulfonamide (PubChem CID 90124221) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[4-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]methanesulfonamide
PubChem CID90124221
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-[4-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]methanesulfonamide
SMILESCc1nc(-c2ccc(NS(C)(=O)=O)cc2)c(C)[nH]1
InChIInChI=1S/C12H15N3O2S/c1-8-12(14-9(2)13-8)10-4-6-11(7-5-10)15-18(3,16)17/h4-7,15H,1-3H3,(H,13,14)
InChIKeyWNQXTPGKTUEMJC-UHFFFAOYSA-N
XLogP2.07
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]methanesulfonamide (CID 90124221) is N-[4-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]methanesulfonamide is Cc1nc(-c2ccc(NS(C)(=O)=O)cc2)c(C)[nH]1.
What is the InChIKey of N-[4-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]methanesulfonamide?
The InChIKey is WNQXTPGKTUEMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8-12(14-9(2)13-8)10-4-6-11(7-5-10)15-18(3,16)17/h4-7,15H,1-3H3,(H,13,14).
What are the key properties of N-[4-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]methanesulfonamide?
N-[4-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]methanesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 90124221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).