1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide

C12H15N3O2S — CID 3650860

IUPAC1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cn(C)cn2)cc1
InChIInChI=1S/C12H15N3O2S/c1-10-3-5-11(6-4-10)7-14-18(16,17)12-8-15(2)9-13-12/h3-6,8-9,14H,7H2,1-2H3
InChIKeyIFVFEPHXUUIFEZ-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.21
Rot. Bonds4

About 1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide

1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide (PubChem CID 3650860) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide
PubChem CID3650860
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cn(C)cn2)cc1
InChIInChI=1S/C12H15N3O2S/c1-10-3-5-11(6-4-10)7-14-18(16,17)12-8-15(2)9-13-12/h3-6,8-9,14H,7H2,1-2H3
InChIKeyIFVFEPHXUUIFEZ-UHFFFAOYSA-N
XLogP1.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide (CID 3650860) is 1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide is Cc1ccc(CNS(=O)(=O)c2cn(C)cn2)cc1.
What is the InChIKey of 1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide?
The InChIKey is IFVFEPHXUUIFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-10-3-5-11(6-4-10)7-14-18(16,17)12-8-15(2)9-13-12/h3-6,8-9,14H,7H2,1-2H3.
What are the key properties of 1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide?
1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide has a molecular weight of 265.34 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 3650860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).