5-chloro-1-methyl-N-(1-methylpyrazol-3-yl)imidazole-4-sulfonamide

C8H10ClN5O2S — CID 60747627

IUPAC5-chloro-1-methyl-N-(1-methylpyrazol-3-yl)imidazole-4-sulfonamide
SMILESCn1ccc(NS(=O)(=O)c2ncn(C)c2Cl)n1
InChIInChI=1S/C8H10ClN5O2S/c1-13-5-10-8(7(13)9)17(15,16)12-6-3-4-14(2)11-6/h3-5H,1-2H3,(H,11,12)
InChIKeyQHKWTCIYROCLLJ-UHFFFAOYSA-N
MW275.72 g/mol
LogP0.61
Rot. Bonds3

About 5-chloro-1-methyl-N-(1-methylpyrazol-3-yl)imidazole-4-sulfonamide

5-chloro-1-methyl-N-(1-methylpyrazol-3-yl)imidazole-4-sulfonamide (PubChem CID 60747627) has the molecular formula C8H10ClN5O2S and a molecular weight of 275.72 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(1-methylpyrazol-3-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(1-methylpyrazol-3-yl)imidazole-4-sulfonamide
PubChem CID60747627
Molecular FormulaC8H10ClN5O2S
Molecular Weight275.72 g/mol
Exact Mass275.02
IUPAC Name5-chloro-1-methyl-N-(1-methylpyrazol-3-yl)imidazole-4-sulfonamide
SMILESCn1ccc(NS(=O)(=O)c2ncn(C)c2Cl)n1
InChIInChI=1S/C8H10ClN5O2S/c1-13-5-10-8(7(13)9)17(15,16)12-6-3-4-14(2)11-6/h3-5H,1-2H3,(H,11,12)
InChIKeyQHKWTCIYROCLLJ-UHFFFAOYSA-N
XLogP0.61
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.72
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-(1-methylpyrazol-3-yl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(1-methylpyrazol-3-yl)imidazole-4-sulfonamide (CID 60747627) is 5-chloro-1-methyl-N-(1-methylpyrazol-3-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(1-methylpyrazol-3-yl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(1-methylpyrazol-3-yl)imidazole-4-sulfonamide is Cn1ccc(NS(=O)(=O)c2ncn(C)c2Cl)n1.
What is the InChIKey of 5-chloro-1-methyl-N-(1-methylpyrazol-3-yl)imidazole-4-sulfonamide?
The InChIKey is QHKWTCIYROCLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5O2S/c1-13-5-10-8(7(13)9)17(15,16)12-6-3-4-14(2)11-6/h3-5H,1-2H3,(H,11,12).
What are the key properties of 5-chloro-1-methyl-N-(1-methylpyrazol-3-yl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(1-methylpyrazol-3-yl)imidazole-4-sulfonamide has a molecular weight of 275.72 g/mol, XLogP of 0.61, 3 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-3-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 60747627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).