N-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide

C15H15ClN4O3S — CID 167877940

IUPACN-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(Cc1cc(-c2cccc(Cl)c2)on1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C15H15ClN4O3S/c1-19-9-15(17-10-19)24(21,22)20(2)8-13-7-14(23-18-13)11-4-3-5-12(16)6-11/h3-7,9-10H,8H2,1-2H3
InChIKeyCLVDMOZWBFMMLS-UHFFFAOYSA-N
MW366.83 g/mol
LogP2.55
Rot. Bonds5

About N-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide

N-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide (PubChem CID 167877940) has the molecular formula C15H15ClN4O3S and a molecular weight of 366.83 g/mol. Its IUPAC name is N-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide
PubChem CID167877940
Molecular FormulaC15H15ClN4O3S
Molecular Weight366.83 g/mol
Exact Mass366.06
IUPAC NameN-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(Cc1cc(-c2cccc(Cl)c2)on1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C15H15ClN4O3S/c1-19-9-15(17-10-19)24(21,22)20(2)8-13-7-14(23-18-13)11-4-3-5-12(16)6-11/h3-7,9-10H,8H2,1-2H3
InChIKeyCLVDMOZWBFMMLS-UHFFFAOYSA-N
XLogP2.55
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(dimethylsulfamoyl)-N-methylmethanamine
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5-(3-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 56511813
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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide (CID 167877940) is N-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide is CN(Cc1cc(-c2cccc(Cl)c2)on1)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide?
The InChIKey is CLVDMOZWBFMMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O3S/c1-19-9-15(17-10-19)24(21,22)20(2)8-13-7-14(23-18-13)11-4-3-5-12(16)6-11/h3-7,9-10H,8H2,1-2H3.
What are the key properties of N-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide?
N-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide has a molecular weight of 366.83 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 167877940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).