2-methyl-N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide

C17H17N3O2S — CID 110735573

IUPAC2-methyl-N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1ncc(-c2ccc(NS(=O)(=O)c3ccccc3C)cc2)[nH]1
InChIInChI=1S/C17H17N3O2S/c1-12-5-3-4-6-17(12)23(21,22)20-15-9-7-14(8-10-15)16-11-18-13(2)19-16/h3-11,20H,1-2H3,(H,18,19)
InChIKeyPOQCVZJOVKLTMH-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.49
Rot. Bonds4

About 2-methyl-N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide

2-methyl-N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 110735573) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-methyl-N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide
PubChem CID110735573
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-methyl-N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1ncc(-c2ccc(NS(=O)(=O)c3ccccc3C)cc2)[nH]1
InChIInChI=1S/C17H17N3O2S/c1-12-5-3-4-6-17(12)23(21,22)20-15-9-7-14(8-10-15)16-11-18-13(2)19-16/h3-11,20H,1-2H3,(H,18,19)
InChIKeyPOQCVZJOVKLTMH-UHFFFAOYSA-N
XLogP3.49
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanesulfonamide
CID 110735545
N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]propane-1-sulfonamide
CID 110735547
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
N-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 66545246
N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide
CID 58646057
3,4-dimethyl-N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide
CID 110735641
N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103744916
2-methyl-N-[4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]benzenesulfonamide
CID 70069654
1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide
CID 23387080
N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 42691246
2-methyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955887
2-methyl-N-(4-propylphenyl)benzenesulfonamide
CID 62999654

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide (CID 110735573) is 2-methyl-N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide is Cc1ncc(-c2ccc(NS(=O)(=O)c3ccccc3C)cc2)[nH]1.
What is the InChIKey of 2-methyl-N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is POQCVZJOVKLTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12-5-3-4-6-17(12)23(21,22)20-15-9-7-14(8-10-15)16-11-18-13(2)19-16/h3-11,20H,1-2H3,(H,18,19).
What are the key properties of 2-methyl-N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide?
2-methyl-N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110735573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).