5-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide

C14H18ClN3O3S2 — CID 42955157

IUPAC5-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)N(Cc2cccs2)CC2CCCO2)c1Cl
InChIInChI=1S/C14H18ClN3O3S2/c1-17-10-16-14(13(17)15)23(19,20)18(8-11-4-2-6-21-11)9-12-5-3-7-22-12/h3,5,7,10-11H,2,4,6,8-9H2,1H3
InChIKeyDUOBPUSKEPXYPI-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.50
Rot. Bonds6

About 5-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide

5-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide (PubChem CID 42955157) has the molecular formula C14H18ClN3O3S2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide
PubChem CID42955157
Molecular FormulaC14H18ClN3O3S2
Molecular Weight375.90 g/mol
Exact Mass375.05
IUPAC Name5-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)N(Cc2cccs2)CC2CCCO2)c1Cl
InChIInChI=1S/C14H18ClN3O3S2/c1-17-10-16-14(13(17)15)23(19,20)18(8-11-4-2-6-21-11)9-12-5-3-7-22-12/h3,5,7,10-11H,2,4,6,8-9H2,1H3
InChIKeyDUOBPUSKEPXYPI-UHFFFAOYSA-N
XLogP2.50
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681211
4-ethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 55386619
3-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 39982805
1-N-cyclohexyl-1-N-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 6551564
4-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate
CID 6971383
4-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 1154153
3-fluoro-4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 46458741
4-methoxy-3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 112823045
2-bromo-4,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 17429230
2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide
CID 39982795
N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 97231150
5-chloro-1-methyl-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide
CID 43415294

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide (CID 42955157) is 5-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)N(Cc2cccs2)CC2CCCO2)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide?
The InChIKey is DUOBPUSKEPXYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3S2/c1-17-10-16-14(13(17)15)23(19,20)18(8-11-4-2-6-21-11)9-12-5-3-7-22-12/h3,5,7,10-11H,2,4,6,8-9H2,1H3.
What are the key properties of 5-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide has a molecular weight of 375.90 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 42955157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).