5-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]imidazole-4-sulfonamide

C10H16ClN3O3S — CID 43421879

IUPAC5-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]imidazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1ncn(C)c1Cl)C1CCCO1
InChIInChI=1S/C10H16ClN3O3S/c1-7(8-4-3-5-17-8)13-18(15,16)10-9(11)14(2)6-12-10/h6-8,13H,3-5H2,1-2H3
InChIKeyLEZMEBGEAWKHFN-UHFFFAOYSA-N
MW293.78 g/mol
LogP0.92
Rot. Bonds4

About 5-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]imidazole-4-sulfonamide

5-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]imidazole-4-sulfonamide (PubChem CID 43421879) has the molecular formula C10H16ClN3O3S and a molecular weight of 293.78 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]imidazole-4-sulfonamide
PubChem CID43421879
Molecular FormulaC10H16ClN3O3S
Molecular Weight293.78 g/mol
Exact Mass293.06
IUPAC Name5-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]imidazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1ncn(C)c1Cl)C1CCCO1
InChIInChI=1S/C10H16ClN3O3S/c1-7(8-4-3-5-17-8)13-18(15,16)10-9(11)14(2)6-12-10/h6-8,13H,3-5H2,1-2H3
InChIKeyLEZMEBGEAWKHFN-UHFFFAOYSA-N
XLogP0.92
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 43533896
4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 6465192
3-hydrazinyl-N-[1-(oxolan-2-yl)ethyl]pyridine-2-sulfonamide
CID 103300982
5-chloro-1-methyl-N-(3-methylpentan-2-yl)imidazole-4-sulfonamide
CID 61395268
2-hydroxy-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 81241326
5-chloro-N-(1-cyanopropan-2-yl)-1-methylimidazole-4-sulfonamide
CID 62091697
5-chloro-1-methyl-N-(2-methylcyclopentyl)imidazole-4-sulfonamide
CID 63281688
3-[1-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl chloride
CID 43533925
5-chloro-1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-sulfonamide
CID 103854127
(4aS,8aS)-4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 51891765
N-(4-aminocyclohexyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 62320919
N-[1-(4-bromophenyl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide
CID 47164706

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]imidazole-4-sulfonamide (CID 43421879) is 5-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]imidazole-4-sulfonamide is CC(NS(=O)(=O)c1ncn(C)c1Cl)C1CCCO1.
What is the InChIKey of 5-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]imidazole-4-sulfonamide?
The InChIKey is LEZMEBGEAWKHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3S/c1-7(8-4-3-5-17-8)13-18(15,16)10-9(11)14(2)6-12-10/h6-8,13H,3-5H2,1-2H3.
What are the key properties of 5-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]imidazole-4-sulfonamide?
5-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]imidazole-4-sulfonamide has a molecular weight of 293.78 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 43421879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).