1-[(3,4-dichlorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide

C13H15Cl2N3O2S — CID 81337314

IUPAC1-[(3,4-dichlorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(N)(=O)=O)cn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3O2S/c1-8(2)13-17-12(21(16,19)20)7-18(13)6-9-3-4-10(14)11(15)5-9/h3-5,7-8H,6H2,1-2H3,(H2,16,19,20)
InChIKeyKPAXAZLZMGFEQH-UHFFFAOYSA-N
MW348.26 g/mol
LogP3.01
Rot. Bonds4

About 1-[(3,4-dichlorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide

1-[(3,4-dichlorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 81337314) has the molecular formula C13H15Cl2N3O2S and a molecular weight of 348.26 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID81337314
Molecular FormulaC13H15Cl2N3O2S
Molecular Weight348.26 g/mol
Exact Mass347.03
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(N)(=O)=O)cn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3O2S/c1-8(2)13-17-12(21(16,19)20)7-18(13)6-9-3-4-10(14)11(15)5-9/h3-5,7-8H,6H2,1-2H3,(H2,16,19,20)
InChIKeyKPAXAZLZMGFEQH-UHFFFAOYSA-N
XLogP3.01
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide (CID 81337314) is 1-[(3,4-dichlorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide is CC(C)c1nc(S(N)(=O)=O)cn1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is KPAXAZLZMGFEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2S/c1-8(2)13-17-12(21(16,19)20)7-18(13)6-9-3-4-10(14)11(15)5-9/h3-5,7-8H,6H2,1-2H3,(H2,16,19,20).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide?
1-[(3,4-dichlorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 348.26 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 81337314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).