5-chloro-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-sulfonamide

C10H14ClN5O2S — CID 43456000

IUPAC5-chloro-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-sulfonamide
SMILESCC(C)n1nccc1NS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H14ClN5O2S/c1-7(2)16-8(4-5-13-16)14-19(17,18)10-9(11)15(3)6-12-10/h4-7,14H,1-3H3
InChIKeyPQGQYKKAGOWUES-UHFFFAOYSA-N
MW303.78 g/mol
LogP1.65
Rot. Bonds4

About 5-chloro-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-sulfonamide

5-chloro-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-sulfonamide (PubChem CID 43456000) has the molecular formula C10H14ClN5O2S and a molecular weight of 303.78 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-sulfonamide
PubChem CID43456000
Molecular FormulaC10H14ClN5O2S
Molecular Weight303.78 g/mol
Exact Mass303.06
IUPAC Name5-chloro-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-sulfonamide
SMILESCC(C)n1nccc1NS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H14ClN5O2S/c1-7(2)16-8(4-5-13-16)14-19(17,18)10-9(11)15(3)6-12-10/h4-7,14H,1-3H3
InChIKeyPQGQYKKAGOWUES-UHFFFAOYSA-N
XLogP1.65
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.78
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyclopentylpyrazol-3-yl)-2-propan-2-yl-1H-imidazole-5-sulfonamide
CID 56795167
2-methyl-N-(2-propan-2-ylpyrazol-3-yl)-1H-imidazole-5-sulfonamide
CID 62998508
N-(2-cyclohexylpyrazol-3-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 75369302
N-[(2S)-1-imidazol-1-ylbutan-2-yl]-1-propylpyrazole-4-sulfonamide
CID 164639716
N-[4-chloro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-2-methyl-1H-imidazole-5-sulfonamide
CID 126828840
2-chloro-3-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazole-4-sulfonamide
CID 138018671
1,2-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazole-4-sulfonamide
CID 146132317
N-(2-(1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 76148332
1-(4-Chloro-1-methylpyrazol-3-yl)imidazole-2-sulfonamide
CID 14252749
1-(2-Methylpyrazol-3-yl)imidazole-2-sulfonamide
CID 14252766
1-[(1-Methylimidazol-2-yl)methyl]pyrazole-3-sulfonamide
CID 137512309
2-(3-Chloropyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-amine
CID 162739729

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-sulfonamide (CID 43456000) is 5-chloro-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-sulfonamide is CC(C)n1nccc1NS(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-sulfonamide?
The InChIKey is PQGQYKKAGOWUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O2S/c1-7(2)16-8(4-5-13-16)14-19(17,18)10-9(11)15(3)6-12-10/h4-7,14H,1-3H3.
What are the key properties of 5-chloro-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-sulfonamide has a molecular weight of 303.78 g/mol, XLogP of 1.65, 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-(2-propan-2-ylpyrazol-3-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 43456000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).