5-chloro-N-(1-ethylpyrazol-4-yl)-1-methylimidazole-4-sulfonamide

C9H12ClN5O2S — CID 39836982

IUPAC5-chloro-N-(1-ethylpyrazol-4-yl)-1-methylimidazole-4-sulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ncn(C)c2Cl)cn1
InChIInChI=1S/C9H12ClN5O2S/c1-3-15-5-7(4-12-15)13-18(16,17)9-8(10)14(2)6-11-9/h4-6,13H,3H2,1-2H3
InChIKeyJXHJGVXWTOTUQW-UHFFFAOYSA-N
MW289.75 g/mol
LogP1.09
Rot. Bonds4

About 5-chloro-N-(1-ethylpyrazol-4-yl)-1-methylimidazole-4-sulfonamide

5-chloro-N-(1-ethylpyrazol-4-yl)-1-methylimidazole-4-sulfonamide (PubChem CID 39836982) has the molecular formula C9H12ClN5O2S and a molecular weight of 289.75 g/mol. Its IUPAC name is 5-chloro-N-(1-ethylpyrazol-4-yl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1-ethylpyrazol-4-yl)-1-methylimidazole-4-sulfonamide
PubChem CID39836982
Molecular FormulaC9H12ClN5O2S
Molecular Weight289.75 g/mol
Exact Mass289.04
IUPAC Name5-chloro-N-(1-ethylpyrazol-4-yl)-1-methylimidazole-4-sulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ncn(C)c2Cl)cn1
InChIInChI=1S/C9H12ClN5O2S/c1-3-15-5-7(4-12-15)13-18(16,17)9-8(10)14(2)6-11-9/h4-6,13H,3H2,1-2H3
InChIKeyJXHJGVXWTOTUQW-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-ethylpyrazol-4-yl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(1-ethylpyrazol-4-yl)-1-methylimidazole-4-sulfonamide (CID 39836982) is 5-chloro-N-(1-ethylpyrazol-4-yl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1-ethylpyrazol-4-yl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(1-ethylpyrazol-4-yl)-1-methylimidazole-4-sulfonamide is CCn1cc(NS(=O)(=O)c2ncn(C)c2Cl)cn1.
What is the InChIKey of 5-chloro-N-(1-ethylpyrazol-4-yl)-1-methylimidazole-4-sulfonamide?
The InChIKey is JXHJGVXWTOTUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5O2S/c1-3-15-5-7(4-12-15)13-18(16,17)9-8(10)14(2)6-11-9/h4-6,13H,3H2,1-2H3.
What are the key properties of 5-chloro-N-(1-ethylpyrazol-4-yl)-1-methylimidazole-4-sulfonamide?
5-chloro-N-(1-ethylpyrazol-4-yl)-1-methylimidazole-4-sulfonamide has a molecular weight of 289.75 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-ethylpyrazol-4-yl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 39836982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).