1-[(4-propan-2-ylphenyl)methyl]imidazole-4-sulfonamide

C13H17N3O2S — CID 81340177

IUPAC1-[(4-propan-2-ylphenyl)methyl]imidazole-4-sulfonamide
SMILESCC(C)c1ccc(Cn2cnc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C13H17N3O2S/c1-10(2)12-5-3-11(4-6-12)7-16-8-13(15-9-16)19(14,17)18/h3-6,8-10H,7H2,1-2H3,(H2,14,17,18)
InChIKeyIEPODQHLMJJBMI-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.70
Rot. Bonds4

About 1-[(4-propan-2-ylphenyl)methyl]imidazole-4-sulfonamide

1-[(4-propan-2-ylphenyl)methyl]imidazole-4-sulfonamide (PubChem CID 81340177) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-[(4-propan-2-ylphenyl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-[(4-propan-2-ylphenyl)methyl]imidazole-4-sulfonamide
PubChem CID81340177
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name1-[(4-propan-2-ylphenyl)methyl]imidazole-4-sulfonamide
SMILESCC(C)c1ccc(Cn2cnc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C13H17N3O2S/c1-10(2)12-5-3-11(4-6-12)7-16-8-13(15-9-16)19(14,17)18/h3-6,8-10H,7H2,1-2H3,(H2,14,17,18)
InChIKeyIEPODQHLMJJBMI-UHFFFAOYSA-N
XLogP1.70
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-tert-butylphenyl)methyl]imidazole-4-sulfonamide
CID 81339885
1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonamide
CID 103042428
1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721205
2-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]ethanamine
CID 79982797
1-(3-methylbutyl)imidazole-4-sulfonamide
CID 81339695
1-(2-methylpentyl)imidazole-4-sulfonamide
CID 81341025
1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonyl chloride
CID 103040669
1-[(4-chloro-3-fluorophenyl)methyl]imidazole-4-sulfonyl chloride
CID 107885615
1-[(5-bromo-2-methoxyphenyl)methyl]imidazole-4-sulfonamide
CID 81340545
2-methoxy-N-[[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720538
1-(cyclopropylmethyl)imidazole-4-sulfonamide
CID 81340648
[1-[(4-propan-2-ylphenyl)methyl]pyrrol-3-yl]methanamine
CID 66410364

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-ylphenyl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 1-[(4-propan-2-ylphenyl)methyl]imidazole-4-sulfonamide (CID 81340177) is 1-[(4-propan-2-ylphenyl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-[(4-propan-2-ylphenyl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-[(4-propan-2-ylphenyl)methyl]imidazole-4-sulfonamide is CC(C)c1ccc(Cn2cnc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 1-[(4-propan-2-ylphenyl)methyl]imidazole-4-sulfonamide?
The InChIKey is IEPODQHLMJJBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-10(2)12-5-3-11(4-6-12)7-16-8-13(15-9-16)19(14,17)18/h3-6,8-10H,7H2,1-2H3,(H2,14,17,18).
What are the key properties of 1-[(4-propan-2-ylphenyl)methyl]imidazole-4-sulfonamide?
1-[(4-propan-2-ylphenyl)methyl]imidazole-4-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-ylphenyl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 81340177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).