5-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide

C9H12ClN5O2S — CID 47364480

IUPAC5-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide
SMILESCn1cc(CNS(=O)(=O)c2ncn(C)c2Cl)cn1
InChIInChI=1S/C9H12ClN5O2S/c1-14-6-11-9(8(14)10)18(16,17)13-4-7-3-12-15(2)5-7/h3,5-6,13H,4H2,1-2H3
InChIKeyINXFYVOKQKKJOG-UHFFFAOYSA-N
MW289.75 g/mol
LogP0.29
Rot. Bonds4

About 5-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide

5-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide (PubChem CID 47364480) has the molecular formula C9H12ClN5O2S and a molecular weight of 289.75 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide
PubChem CID47364480
Molecular FormulaC9H12ClN5O2S
Molecular Weight289.75 g/mol
Exact Mass289.04
IUPAC Name5-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide
SMILESCn1cc(CNS(=O)(=O)c2ncn(C)c2Cl)cn1
InChIInChI=1S/C9H12ClN5O2S/c1-14-6-11-9(8(14)10)18(16,17)13-4-7-3-12-15(2)5-7/h3,5-6,13H,4H2,1-2H3
InChIKeyINXFYVOKQKKJOG-UHFFFAOYSA-N
XLogP0.29
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.75
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]imidazole-4-sulfonamide
CID 154739176
5-chloro-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide
CID 35311783
5-chloro-N-(1-ethylpyrazol-4-yl)-1-methylimidazole-4-sulfonamide
CID 39836982
5-chloro-1-methyl-N-(1-methylpyrazol-4-yl)imidazole-4-sulfonamide
CID 39874403
5-chloro-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-sulfonamide
CID 43456000
5-chloro-1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide
CID 43532794
5-chloro-1-methyl-N-(3-pyrazol-1-ylpropyl)imidazole-4-sulfonamide
CID 45811495
5-chloro-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)imidazole-4-sulfonamide
CID 45821827
1,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazole-4-sulfonamide
CID 47092489
5-chloro-1-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-4-sulfonamide
CID 47235688
5-chloro-1-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazole-4-sulfonamide
CID 51891631
5-chloro-1-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]imidazole-4-sulfonamide
CID 51891632

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide (CID 47364480) is 5-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide is Cn1cc(CNS(=O)(=O)c2ncn(C)c2Cl)cn1.
What is the InChIKey of 5-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide?
The InChIKey is INXFYVOKQKKJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5O2S/c1-14-6-11-9(8(14)10)18(16,17)13-4-7-3-12-15(2)5-7/h3,5-6,13H,4H2,1-2H3.
What are the key properties of 5-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide?
5-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide has a molecular weight of 289.75 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 47364480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).