5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide

C16H14ClN3O3S — CID 46594182

IUPAC5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c1Cl
InChIInChI=1S/C16H14ClN3O3S/c1-20-11-18-16(15(20)17)24(21,22)19-12-7-9-14(10-8-12)23-13-5-3-2-4-6-13/h2-11,19H,1H3
InChIKeyCGZACEUAFODMHZ-UHFFFAOYSA-N
MW363.83 g/mol
LogP3.67
Rot. Bonds5

About 5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide

5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide (PubChem CID 46594182) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide
PubChem CID46594182
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC Name5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c1Cl
InChIInChI=1S/C16H14ClN3O3S/c1-20-11-18-16(15(20)17)24(21,22)19-12-7-9-14(10-8-12)23-13-5-3-2-4-6-13/h2-11,19H,1H3
InChIKeyCGZACEUAFODMHZ-UHFFFAOYSA-N
XLogP3.67
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide
CID 60747502
5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide
CID 43455993
5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
CID 43415186
5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide
CID 134006747
5-chloro-N-[2-(4-ethoxyphenoxy)phenyl]-1-methylimidazole-4-sulfonamide
CID 55590040
5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide
CID 43456020
5-chloro-N-(2-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 43415160
5-chloro-N-[6-(dimethylamino)-3-pyridinyl]-1-methylimidazole-4-sulfonamide
CID 61051800
methyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate
CID 134007714
5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylimidazole-4-sulfonamide
CID 134006766
5-chloro-N-(3,5-difluorophenyl)-1-methylimidazole-4-sulfonamide
CID 43415229
5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide
CID 43415224

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide (CID 46594182) is 5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide?
The InChIKey is CGZACEUAFODMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c1-20-11-18-16(15(20)17)24(21,22)19-12-7-9-14(10-8-12)23-13-5-3-2-4-6-13/h2-11,19H,1H3.
What are the key properties of 5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide has a molecular weight of 363.83 g/mol, XLogP of 3.67, 5 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-(4-phenoxyphenyl)imidazole-4-sulfonamide is sourced from PubChem (CID 46594182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).