1,2-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]imidazole-4-sulfonamide

C16H17N3O2S2 — CID 2738899

IUPAC1,2-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCc2ccc(-c3cccs3)cc2)cn1C
InChIInChI=1S/C16H17N3O2S2/c1-12-18-16(11-19(12)2)23(20,21)17-10-13-5-7-14(8-6-13)15-4-3-9-22-15/h3-9,11,17H,10H2,1-2H3
InChIKeyFACOKZHFCKQXOI-UHFFFAOYSA-N
MW347.47 g/mol
LogP2.94
Rot. Bonds5

About 1,2-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]imidazole-4-sulfonamide

1,2-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]imidazole-4-sulfonamide (PubChem CID 2738899) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is 1,2-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]imidazole-4-sulfonamide
PubChem CID2738899
Molecular FormulaC16H17N3O2S2
Molecular Weight347.47 g/mol
Exact Mass347.08
IUPAC Name1,2-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCc2ccc(-c3cccs3)cc2)cn1C
InChIInChI=1S/C16H17N3O2S2/c1-12-18-16(11-19(12)2)23(20,21)17-10-13-5-7-14(8-6-13)15-4-3-9-22-15/h3-9,11,17H,10H2,1-2H3
InChIKeyFACOKZHFCKQXOI-UHFFFAOYSA-N
XLogP2.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride
CID 120893228
N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbenzenesulfonamide
CID 141000174
1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide
CID 91625884
1,2-dimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]imidazole-4-sulfonamide
CID 47092488
N-[(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2-dimethylimidazole-4-sulfonamide
CID 126827681
2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-oxo-4-thiophen-2-ylbutanoic acid
CID 136533079
1,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide
CID 122275647
1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide
CID 107232092
N,1,2-trimethylimidazole-4-sulfonamide
CID 23573311
N-[(2S)-2-hydroxypropyl]-1,2-dimethylimidazole-4-sulfonamide
CID 83031032
1,2-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
CID 122286498
methyl 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate
CID 62062661

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]imidazole-4-sulfonamide (CID 2738899) is 1,2-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]imidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NCc2ccc(-c3cccs3)cc2)cn1C.
What is the InChIKey of 1,2-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]imidazole-4-sulfonamide?
The InChIKey is FACOKZHFCKQXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-12-18-16(11-19(12)2)23(20,21)17-10-13-5-7-14(8-6-13)15-4-3-9-22-15/h3-9,11,17H,10H2,1-2H3.
What are the key properties of 1,2-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]imidazole-4-sulfonamide?
1,2-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]imidazole-4-sulfonamide has a molecular weight of 347.47 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 2738899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).