N-(3-chlorophenyl)-1,2-dimethylimidazole-4-sulfonamide

C11H12ClN3O2S — CID 53008169

IUPACN-(3-chlorophenyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2cccc(Cl)c2)cn1C
InChIInChI=1S/C11H12ClN3O2S/c1-8-13-11(7-15(8)2)18(16,17)14-10-5-3-4-9(12)6-10/h3-7,14H,1-2H3
InChIKeyIXCPALHAJWCZKA-UHFFFAOYSA-N
MW285.76 g/mol
LogP2.18
Rot. Bonds3

About N-(3-chlorophenyl)-1,2-dimethylimidazole-4-sulfonamide

N-(3-chlorophenyl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 53008169) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID53008169
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC NameN-(3-chlorophenyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2cccc(Cl)c2)cn1C
InChIInChI=1S/C11H12ClN3O2S/c1-8-13-11(7-15(8)2)18(16,17)14-10-5-3-4-9(12)6-10/h3-7,14H,1-2H3
InChIKeyIXCPALHAJWCZKA-UHFFFAOYSA-N
XLogP2.18
TPSA63.99 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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-1,2-dimethylimidazole-4-sulfonamide (CID 53008169) is N-(3-chlorophenyl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)Nc2cccc(Cl)c2)cn1C.
What is the InChIKey of N-(3-chlorophenyl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is IXCPALHAJWCZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c1-8-13-11(7-15(8)2)18(16,17)14-10-5-3-4-9(12)6-10/h3-7,14H,1-2H3.
What are the key properties of N-(3-chlorophenyl)-1,2-dimethylimidazole-4-sulfonamide?
N-(3-chlorophenyl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 285.76 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 53008169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).