5-chloro-1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide

C7H8ClN5O2S — CID 43532794

IUPAC5-chloro-1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cn[nH]c2)c1Cl
InChIInChI=1S/C7H8ClN5O2S/c1-13-4-9-7(6(13)8)16(14,15)12-5-2-10-11-3-5/h2-4,12H,1H3,(H,10,11)
InChIKeyMLYWEMKVUASCFD-UHFFFAOYSA-N
MW261.69 g/mol
LogP0.60
Rot. Bonds3

About 5-chloro-1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide

5-chloro-1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide (PubChem CID 43532794) has the molecular formula C7H8ClN5O2S and a molecular weight of 261.69 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide
PubChem CID43532794
Molecular FormulaC7H8ClN5O2S
Molecular Weight261.69 g/mol
Exact Mass261.01
IUPAC Name5-chloro-1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cn[nH]c2)c1Cl
InChIInChI=1S/C7H8ClN5O2S/c1-13-4-9-7(6(13)8)16(14,15)12-5-2-10-11-3-5/h2-4,12H,1H3,(H,10,11)
InChIKeyMLYWEMKVUASCFD-UHFFFAOYSA-N
XLogP0.60
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide (CID 43532794) is 5-chloro-1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2cn[nH]c2)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide?
The InChIKey is MLYWEMKVUASCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN5O2S/c1-13-4-9-7(6(13)8)16(14,15)12-5-2-10-11-3-5/h2-4,12H,1H3,(H,10,11).
What are the key properties of 5-chloro-1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide has a molecular weight of 261.69 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 43532794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).