1,2-dimethylimidazole-4-sulfonamide

C5H9N3O2S — CID 2758563

IUPAC1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(N)(=O)=O)cn1C
InChIInChI=1S/C5H9N3O2S/c1-4-7-5(3-8(4)2)11(6,9)10/h3H,1-2H3,(H2,6,9,10)
InChIKeyIBPSPEHRHLEXKB-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.62
Rot. Bonds1

About 1,2-dimethylimidazole-4-sulfonamide

1,2-dimethylimidazole-4-sulfonamide (PubChem CID 2758563) has the molecular formula C5H9N3O2S and a molecular weight of 175.21 g/mol. Its IUPAC name is 1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethylimidazole-4-sulfonamide
PubChem CID2758563
Molecular FormulaC5H9N3O2S
Molecular Weight175.21 g/mol
Exact Mass175.04
IUPAC Name1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(N)(=O)=O)cn1C
InChIInChI=1S/C5H9N3O2S/c1-4-7-5(3-8(4)2)11(6,9)10/h3H,1-2H3,(H2,6,9,10)
InChIKeyIBPSPEHRHLEXKB-UHFFFAOYSA-N
XLogP-0.62
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1H-imidazole-4-sulfonamide
CID 2736885
1H-Imidazole-4-sulfonamide, 1-(1-methylethyl)-
CID 71757215
1,2-Dimethylimidazole-4-sulfonyl chloride
CID 2736256
1-methyl-1H-imidazole-4-sulfonyl chloride
CID 2736887
4-((1,2-dimethyl-1H-imidazol-4-yl)sulfonyl)thiomorpholine
CID 72024489
2-methyl-1H-imidazole-5-sulfonyl chloride
CID 10583549
1,2-dimethyl-1H-imidazole-5-sulfonyl chloride
CID 2736258
1-methyl-1H-imidazole-5-sulfonyl chloride
CID 2736888
1-methyl-1H-imidazole-2-sulfonamide
CID 15417761
1-methyl-1H-imidazole-5-sulfonamide
CID 18971486
N,N,1-trimethyl-1H-imidazole-4-sulfonamide
CID 47002931
N,N-dimethyl-1H-imidazole-4-sulfonamide
CID 54593459

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethylimidazole-4-sulfonamide (CID 2758563) is 1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(N)(=O)=O)cn1C.
What is the InChIKey of 1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is IBPSPEHRHLEXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S/c1-4-7-5(3-8(4)2)11(6,9)10/h3H,1-2H3,(H2,6,9,10).
What are the key properties of 1,2-dimethylimidazole-4-sulfonamide?
1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 175.21 g/mol, XLogP of -0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 2758563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).