5-chloro-N-(3-hydroxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide

C8H14ClN3O3S — CID 65035723

IUPAC5-chloro-N-(3-hydroxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide
SMILESCC(CO)CNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C8H14ClN3O3S/c1-6(4-13)3-11-16(14,15)8-7(9)12(2)5-10-8/h5-6,11,13H,3-4H2,1-2H3
InChIKeyCRSMNOZEFXOMLN-UHFFFAOYSA-N
MW267.74 g/mol
LogP-0.02
Rot. Bonds5

About 5-chloro-N-(3-hydroxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide

5-chloro-N-(3-hydroxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide (PubChem CID 65035723) has the molecular formula C8H14ClN3O3S and a molecular weight of 267.74 g/mol. Its IUPAC name is 5-chloro-N-(3-hydroxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-hydroxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide
PubChem CID65035723
Molecular FormulaC8H14ClN3O3S
Molecular Weight267.74 g/mol
Exact Mass267.04
IUPAC Name5-chloro-N-(3-hydroxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide
SMILESCC(CO)CNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C8H14ClN3O3S/c1-6(4-13)3-11-16(14,15)8-7(9)12(2)5-10-8/h5-6,11,13H,3-4H2,1-2H3
InChIKeyCRSMNOZEFXOMLN-UHFFFAOYSA-N
XLogP-0.02
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(5-hydroxy-4-methylpentyl)-1-methylimidazole-4-sulfonamide
CID 103858809
5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide
CID 102697795
5-chloro-N-(4-hydroxypentyl)-1-methylimidazole-4-sulfonamide
CID 107271238
5-chloro-1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]imidazole-4-sulfonamide
CID 113431393
5-chloro-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]imidazole-4-sulfonamide
CID 103743754
N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61247762
N-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61250573
methyl 3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]propanoate
CID 60745024
5-chloro-N-(2-hydroxy-2-methylbutyl)-1-methylimidazole-4-sulfonamide
CID 65107131
5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-methylimidazole-4-sulfonamide
CID 103834891
5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylimidazole-4-sulfonamide
CID 115359369
5-chloro-1-methyl-N-(3-methylpentan-2-yl)imidazole-4-sulfonamide
CID 61395268

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-hydroxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(3-hydroxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide (CID 65035723) is 5-chloro-N-(3-hydroxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-hydroxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-hydroxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide is CC(CO)CNS(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N-(3-hydroxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is CRSMNOZEFXOMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O3S/c1-6(4-13)3-11-16(14,15)8-7(9)12(2)5-10-8/h5-6,11,13H,3-4H2,1-2H3.
What are the key properties of 5-chloro-N-(3-hydroxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide?
5-chloro-N-(3-hydroxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 267.74 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-hydroxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 65035723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).