3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1-methylpyrazole-4-sulfonamide

C9H14N6O4S2 — CID 62063692

IUPAC3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1-methylpyrazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2nn(C)cc2S(N)(=O)=O)cn1C
InChIInChI=1S/C9H14N6O4S2/c1-6-11-8(5-14(6)2)21(18,19)13-9-7(20(10,16)17)4-15(3)12-9/h4-5H,1-3H3,(H,12,13)(H2,10,16,17)
InChIKeyQCJOQYQJKCULRM-UHFFFAOYSA-N
MW334.38 g/mol
LogP-1.09
Rot. Bonds4

About 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1-methylpyrazole-4-sulfonamide

3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1-methylpyrazole-4-sulfonamide (PubChem CID 62063692) has the molecular formula C9H14N6O4S2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1-methylpyrazole-4-sulfonamide
PubChem CID62063692
Molecular FormulaC9H14N6O4S2
Molecular Weight334.38 g/mol
Exact Mass334.05
IUPAC Name3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1-methylpyrazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2nn(C)cc2S(N)(=O)=O)cn1C
InChIInChI=1S/C9H14N6O4S2/c1-6-11-8(5-14(6)2)21(18,19)13-9-7(20(10,16)17)4-15(3)12-9/h4-5H,1-3H3,(H,12,13)(H2,10,16,17)
InChIKeyQCJOQYQJKCULRM-UHFFFAOYSA-N
XLogP-1.09
TPSA141.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1-methylpyrazole-4-sulfonamide (CID 62063692) is 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1-methylpyrazole-4-sulfonamide is Cc1nc(S(=O)(=O)Nc2nn(C)cc2S(N)(=O)=O)cn1C.
What is the InChIKey of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1-methylpyrazole-4-sulfonamide?
The InChIKey is QCJOQYQJKCULRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O4S2/c1-6-11-8(5-14(6)2)21(18,19)13-9-7(20(10,16)17)4-15(3)12-9/h4-5H,1-3H3,(H,12,13)(H2,10,16,17).
What are the key properties of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1-methylpyrazole-4-sulfonamide?
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1-methylpyrazole-4-sulfonamide has a molecular weight of 334.38 g/mol, XLogP of -1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 62063692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).