5-chloro-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylimidazole-4-sulfonamide

C9H16ClN3O3S — CID 61053391

IUPAC5-chloro-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C9H16ClN3O3S/c1-7(2)13(4-5-14)17(15,16)9-8(10)12(3)6-11-9/h6-7,14H,4-5H2,1-3H3
InChIKeyWTJZUBVZVIRKCJ-UHFFFAOYSA-N
MW281.76 g/mol
LogP0.46
Rot. Bonds5

About 5-chloro-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylimidazole-4-sulfonamide

5-chloro-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylimidazole-4-sulfonamide (PubChem CID 61053391) has the molecular formula C9H16ClN3O3S and a molecular weight of 281.76 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylimidazole-4-sulfonamide
PubChem CID61053391
Molecular FormulaC9H16ClN3O3S
Molecular Weight281.76 g/mol
Exact Mass281.06
IUPAC Name5-chloro-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C9H16ClN3O3S/c1-7(2)13(4-5-14)17(15,16)9-8(10)12(3)6-11-9/h6-7,14H,4-5H2,1-3H3
InChIKeyWTJZUBVZVIRKCJ-UHFFFAOYSA-N
XLogP0.46
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-Chloro-1-methylimidazol-4-yl)sulfonylmorpholine
CID 35290915
1-[(5-Chloro-1-methyl-1H-imidazol-4-yl)sulfonyl]-4-(1-methylethyl)piperazine
CID 43421729
5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]-1H-imidazole-4-sulfonamide
CID 51683231
5-chloro-N-(1-methoxypropan-2-yl)-1-methylimidazole-4-sulfonamide
CID 43415282
5-chloro-1-methyl-N-(1-morpholin-4-ylpropan-2-yl)imidazole-4-sulfonamide
CID 45822453
5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylimidazole-4-sulfonamide
CID 53609279
5-chloro-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 61045589
5-chloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 61046480
5-chloro-1-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 61046693
5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide
CID 103836899
5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide
CID 107479239
5-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
CID 113317200

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylimidazole-4-sulfonamide (CID 61053391) is 5-chloro-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylimidazole-4-sulfonamide is CC(C)N(CCO)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is WTJZUBVZVIRKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O3S/c1-7(2)13(4-5-14)17(15,16)9-8(10)12(3)6-11-9/h6-7,14H,4-5H2,1-3H3.
What are the key properties of 5-chloro-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylimidazole-4-sulfonamide?
5-chloro-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 281.76 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 61053391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).