3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide

C17H17ClN4O2S — CID 131973042

IUPAC3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cncn2-c2ncc(C)cc2Cl)c1
InChIInChI=1S/C17H17ClN4O2S/c1-11-4-12(2)6-14(5-11)21-25(23,24)16-9-19-10-22(16)17-15(18)7-13(3)8-20-17/h4-10,21H,1-3H3
InChIKeyIKEXMSVDUISLSR-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.65
Rot. Bonds4

About 3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide

3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide (PubChem CID 131973042) has the molecular formula C17H17ClN4O2S and a molecular weight of 376.87 g/mol. Its IUPAC name is 3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide
PubChem CID131973042
Molecular FormulaC17H17ClN4O2S
Molecular Weight376.87 g/mol
Exact Mass376.08
IUPAC Name3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cncn2-c2ncc(C)cc2Cl)c1
InChIInChI=1S/C17H17ClN4O2S/c1-11-4-12(2)6-14(5-11)21-25(23,24)16-9-19-10-22(16)17-15(18)7-13(3)8-20-17/h4-10,21H,1-3H3
InChIKeyIKEXMSVDUISLSR-UHFFFAOYSA-N
XLogP3.65
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide?
The IUPAC name of 3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide (CID 131973042) is 3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide.
What is the SMILES notation for 3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide?
The canonical SMILES for 3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2cncn2-c2ncc(C)cc2Cl)c1.
What is the InChIKey of 3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide?
The InChIKey is IKEXMSVDUISLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S/c1-11-4-12(2)6-14(5-11)21-25(23,24)16-9-19-10-22(16)17-15(18)7-13(3)8-20-17/h4-10,21H,1-3H3.
What are the key properties of 3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide?
3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide has a molecular weight of 376.87 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide is sourced from PubChem (CID 131973042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).