N-[4-(1H-imidazol-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide

C17H17N3O2S — CID 110726562

IUPACN-[4-(1H-imidazol-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3ncc[nH]3)cc2)cc1C
InChIInChI=1S/C17H17N3O2S/c1-12-3-8-16(11-13(12)2)23(21,22)20-15-6-4-14(5-7-15)17-18-9-10-19-17/h3-11,20H,1-2H3,(H,18,19)
InChIKeyHTZCBOXLXHWQCM-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.49
Rot. Bonds4

About N-[4-(1H-imidazol-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide

N-[4-(1H-imidazol-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 110726562) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[4-(1H-imidazol-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1H-imidazol-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide
PubChem CID110726562
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[4-(1H-imidazol-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3ncc[nH]3)cc2)cc1C
InChIInChI=1S/C17H17N3O2S/c1-12-3-8-16(11-13(12)2)23(21,22)20-15-6-4-14(5-7-15)17-18-9-10-19-17/h3-11,20H,1-2H3,(H,18,19)
InChIKeyHTZCBOXLXHWQCM-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-(1H-imidazol-2-yl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110726587
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626
3,4-dimethyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide
CID 49370742
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 110417093
4-chloro-N-[3-(1H-imidazol-2-yl)phenyl]benzenesulfonamide
CID 110726450
N-[4-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 65031273
3,4-dimethyl-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122297613
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
3,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzenesulfonamide
CID 110732709
3-amino-N-(1H-imidazol-2-yl)-4-methylbenzenesulfonamide
CID 63562930
3,4-dimethyl-N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]benzenesulfonamide
CID 110735812

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-(1H-imidazol-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide (CID 110726562) is N-[4-(1H-imidazol-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(1H-imidazol-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-(1H-imidazol-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-c3ncc[nH]3)cc2)cc1C.
What is the InChIKey of N-[4-(1H-imidazol-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is HTZCBOXLXHWQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12-3-8-16(11-13(12)2)23(21,22)20-15-6-4-14(5-7-15)17-18-9-10-19-17/h3-11,20H,1-2H3,(H,18,19).
What are the key properties of N-[4-(1H-imidazol-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide?
N-[4-(1H-imidazol-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide 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 N-[4-(1H-imidazol-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 110726562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).