5-chloro-N-(4-hydroxypentyl)-1-methylimidazole-4-sulfonamide

C9H16ClN3O3S — CID 107271238

IUPAC5-chloro-N-(4-hydroxypentyl)-1-methylimidazole-4-sulfonamide
SMILESCC(O)CCCNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C9H16ClN3O3S/c1-7(14)4-3-5-12-17(15,16)9-8(10)13(2)6-11-9/h6-7,12,14H,3-5H2,1-2H3
InChIKeyREASEPCRVMZTHP-UHFFFAOYSA-N
MW281.76 g/mol
LogP0.51
Rot. Bonds6

About 5-chloro-N-(4-hydroxypentyl)-1-methylimidazole-4-sulfonamide

5-chloro-N-(4-hydroxypentyl)-1-methylimidazole-4-sulfonamide (PubChem CID 107271238) has the molecular formula C9H16ClN3O3S and a molecular weight of 281.76 g/mol. Its IUPAC name is 5-chloro-N-(4-hydroxypentyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-hydroxypentyl)-1-methylimidazole-4-sulfonamide
PubChem CID107271238
Molecular FormulaC9H16ClN3O3S
Molecular Weight281.76 g/mol
Exact Mass281.06
IUPAC Name5-chloro-N-(4-hydroxypentyl)-1-methylimidazole-4-sulfonamide
SMILESCC(O)CCCNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C9H16ClN3O3S/c1-7(14)4-3-5-12-17(15,16)9-8(10)13(2)6-11-9/h6-7,12,14H,3-5H2,1-2H3
InChIKeyREASEPCRVMZTHP-UHFFFAOYSA-N
XLogP0.51
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(5-hydroxy-4-methylpentyl)-1-methylimidazole-4-sulfonamide
CID 103858809
N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61247762
N-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61250573
5-chloro-1-methyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide
CID 63965435
5-chloro-1-methyl-N-(4,4,4-trifluorobutyl)imidazole-4-sulfonamide
CID 79040358
5-chloro-N-(3-hydroxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide
CID 65035723
methyl 3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]propanoate
CID 60745024
5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-methylimidazole-4-sulfonamide
CID 103834891
5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide
CID 102697795
5-chloro-N-[2-(ethylsulfamoyl)ethyl]-1-methylimidazole-4-sulfonamide
CID 113233818
5-chloro-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]imidazole-4-sulfonamide
CID 103743754
5-chloro-N-(2-hydroxy-2-methylbutyl)-1-methylimidazole-4-sulfonamide
CID 65107131

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-hydroxypentyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(4-hydroxypentyl)-1-methylimidazole-4-sulfonamide (CID 107271238) is 5-chloro-N-(4-hydroxypentyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4-hydroxypentyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(4-hydroxypentyl)-1-methylimidazole-4-sulfonamide is CC(O)CCCNS(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N-(4-hydroxypentyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is REASEPCRVMZTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O3S/c1-7(14)4-3-5-12-17(15,16)9-8(10)13(2)6-11-9/h6-7,12,14H,3-5H2,1-2H3.
What are the key properties of 5-chloro-N-(4-hydroxypentyl)-1-methylimidazole-4-sulfonamide?
5-chloro-N-(4-hydroxypentyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 281.76 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-hydroxypentyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 107271238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).