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

C11H13N3O2S — CID 110735545

IUPACN-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanesulfonamide
SMILESCc1ncc(-c2ccc(NS(C)(=O)=O)cc2)[nH]1
InChIInChI=1S/C11H13N3O2S/c1-8-12-7-11(13-8)9-3-5-10(6-4-9)14-17(2,15)16/h3-7,14H,1-2H3,(H,12,13)
InChIKeyLKAGXSULAIPCPB-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.76
Rot. Bonds3

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

N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanesulfonamide (PubChem CID 110735545) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanesulfonamide
PubChem CID110735545
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanesulfonamide
SMILESCc1ncc(-c2ccc(NS(C)(=O)=O)cc2)[nH]1
InChIInChI=1S/C11H13N3O2S/c1-8-12-7-11(13-8)9-3-5-10(6-4-9)14-17(2,15)16/h3-7,14H,1-2H3,(H,12,13)
InChIKeyLKAGXSULAIPCPB-UHFFFAOYSA-N
XLogP1.76
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]propane-1-sulfonamide
CID 110735547
2-methyl-N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide
CID 110735573
N-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanesulfonamide
CID 62741428
N-[4-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]methanesulfonamide
CID 90124221
2-methyl-5-[4-(4-methylphenyl)phenyl]-1H-imidazole
CID 118357531
azane;2-methyl-5-(4-methylphenyl)-1H-imidazole
CID 175302356
1-tert-butyl-3-[4-(2-methyl-1H-imidazol-5-yl)phenyl]urea
CID 110749218
N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanesulfonamide
CID 110735632
N-methyl-1-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine
CID 59598048
4-(2-methyl-1H-imidazol-5-yl)-2-methylsulfonylaniline
CID 166047876
2-methyl-5-(2-methyl-1H-imidazol-5-yl)pyridine
CID 90181960
N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide
CID 110735497

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanesulfonamide (CID 110735545) is N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanesulfonamide is Cc1ncc(-c2ccc(NS(C)(=O)=O)cc2)[nH]1.
What is the InChIKey of N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanesulfonamide?
The InChIKey is LKAGXSULAIPCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-8-12-7-11(13-8)9-3-5-10(6-4-9)14-17(2,15)16/h3-7,14H,1-2H3,(H,12,13).
What are the key properties of N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanesulfonamide?
N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanesulfonamide has a molecular weight of 251.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 110735545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).