5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide

C16H22ClN3O4S — CID 134043672

IUPAC5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCCOc1ccc(CCNS(=O)(=O)c2ncn(C)c2Cl)cc1OCC
InChIInChI=1S/C16H22ClN3O4S/c1-4-23-13-7-6-12(10-14(13)24-5-2)8-9-19-25(21,22)16-15(17)20(3)11-18-16/h6-7,10-11,19H,4-5,8-9H2,1-3H3
InChIKeyATJGQLGWQDWEBQ-UHFFFAOYSA-N
MW387.89 g/mol
LogP2.39
Rot. Bonds9

About 5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide

5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide (PubChem CID 134043672) has the molecular formula C16H22ClN3O4S and a molecular weight of 387.89 g/mol. Its IUPAC name is 5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide
PubChem CID134043672
Molecular FormulaC16H22ClN3O4S
Molecular Weight387.89 g/mol
Exact Mass387.10
IUPAC Name5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCCOc1ccc(CCNS(=O)(=O)c2ncn(C)c2Cl)cc1OCC
InChIInChI=1S/C16H22ClN3O4S/c1-4-23-13-7-6-12(10-14(13)24-5-2)8-9-19-25(21,22)16-15(17)20(3)11-18-16/h6-7,10-11,19H,4-5,8-9H2,1-3H3
InChIKeyATJGQLGWQDWEBQ-UHFFFAOYSA-N
XLogP2.39
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61247762
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 55353251
5-chloro-1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide
CID 43415290
methyl 3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]propanoate
CID 60745024
N-[2-(3-chloro-4-ethoxyphenyl)ethyl]ethanesulfonamide
CID 110788916
5-chloro-1-methyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide
CID 63965435
5-chloro-N-(2-hydroxy-2-methylbutyl)-1-methylimidazole-4-sulfonamide
CID 65107131
N-[2-(3-chloro-4-ethoxyphenyl)ethyl]propane-1-sulfonamide
CID 110788917
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,4-diethoxybenzenesulfonamide
CID 55905205
5-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylimidazole-4-sulfonamide
CID 60527069
2-bromo-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3482971
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide (CID 134043672) is 5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide is CCOc1ccc(CCNS(=O)(=O)c2ncn(C)c2Cl)cc1OCC.
What is the InChIKey of 5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is ATJGQLGWQDWEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O4S/c1-4-23-13-7-6-12(10-14(13)24-5-2)8-9-19-25(21,22)16-15(17)20(3)11-18-16/h6-7,10-11,19H,4-5,8-9H2,1-3H3.
What are the key properties of 5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide?
5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 387.89 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 134043672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).