1-[(3-chlorophenyl)methyl]-2-methylimidazole-4-sulfonamide

C11H12ClN3O2S — CID 81340365

IUPAC1-[(3-chlorophenyl)methyl]-2-methylimidazole-4-sulfonamide
SMILESCc1nc(S(N)(=O)=O)cn1Cc1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3O2S/c1-8-14-11(18(13,16)17)7-15(8)6-9-3-2-4-10(12)5-9/h2-5,7H,6H2,1H3,(H2,13,16,17)
InChIKeyQPDBERDYHQIZNI-UHFFFAOYSA-N
MW285.76 g/mol
LogP1.54
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-2-methylimidazole-4-sulfonamide

1-[(3-chlorophenyl)methyl]-2-methylimidazole-4-sulfonamide (PubChem CID 81340365) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-methylimidazole-4-sulfonamide
PubChem CID81340365
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name1-[(3-chlorophenyl)methyl]-2-methylimidazole-4-sulfonamide
SMILESCc1nc(S(N)(=O)=O)cn1Cc1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3O2S/c1-8-14-11(18(13,16)17)7-15(8)6-9-3-2-4-10(12)5-9/h2-5,7H,6H2,1H3,(H2,13,16,17)
InChIKeyQPDBERDYHQIZNI-UHFFFAOYSA-N
XLogP1.54
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-methylimidazole-4-sulfonamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-methylimidazole-4-sulfonamide (CID 81340365) is 1-[(3-chlorophenyl)methyl]-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-methylimidazole-4-sulfonamide is Cc1nc(S(N)(=O)=O)cn1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-methylimidazole-4-sulfonamide?
The InChIKey is QPDBERDYHQIZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c1-8-14-11(18(13,16)17)7-15(8)6-9-3-2-4-10(12)5-9/h2-5,7H,6H2,1H3,(H2,13,16,17).
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-methylimidazole-4-sulfonamide?
1-[(3-chlorophenyl)methyl]-2-methylimidazole-4-sulfonamide has a molecular weight of 285.76 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 81340365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).