5-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylimidazole-4-sulfonamide

C13H16ClN3O3S — CID 60527069

IUPAC5-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylimidazole-4-sulfonamide
SMILESCOCc1cccc(CNS(=O)(=O)c2ncn(C)c2Cl)c1
InChIInChI=1S/C13H16ClN3O3S/c1-17-9-15-13(12(17)14)21(18,19)16-7-10-4-3-5-11(6-10)8-20-2/h3-6,9,16H,7-8H2,1-2H3
InChIKeyACMRRWQKGBGUDD-UHFFFAOYSA-N
MW329.81 g/mol
LogP1.70
Rot. Bonds6

About 5-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylimidazole-4-sulfonamide

5-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylimidazole-4-sulfonamide (PubChem CID 60527069) has the molecular formula C13H16ClN3O3S and a molecular weight of 329.81 g/mol. Its IUPAC name is 5-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylimidazole-4-sulfonamide
PubChem CID60527069
Molecular FormulaC13H16ClN3O3S
Molecular Weight329.81 g/mol
Exact Mass329.06
IUPAC Name5-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylimidazole-4-sulfonamide
SMILESCOCc1cccc(CNS(=O)(=O)c2ncn(C)c2Cl)c1
InChIInChI=1S/C13H16ClN3O3S/c1-17-9-15-13(12(17)14)21(18,19)16-7-10-4-3-5-11(6-10)8-20-2/h3-6,9,16H,7-8H2,1-2H3
InChIKeyACMRRWQKGBGUDD-UHFFFAOYSA-N
XLogP1.70
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide
CID 43415290
5-chloro-1-methyl-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide
CID 43415294
5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide
CID 102697795
methyl 3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]propanoate
CID 60745024
5-chloro-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]imidazole-4-sulfonamide
CID 62847232
N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61247762
5-chloro-1-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]imidazole-4-sulfonamide
CID 92861335
5-chloro-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide
CID 55173032
5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide
CID 134043672
3-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-5-nitrobenzenesulfonamide
CID 55913620
5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
CID 60539837
N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 61226702

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylimidazole-4-sulfonamide (CID 60527069) is 5-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylimidazole-4-sulfonamide is COCc1cccc(CNS(=O)(=O)c2ncn(C)c2Cl)c1.
What is the InChIKey of 5-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is ACMRRWQKGBGUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3S/c1-17-9-15-13(12(17)14)21(18,19)16-7-10-4-3-5-11(6-10)8-20-2/h3-6,9,16H,7-8H2,1-2H3.
What are the key properties of 5-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylimidazole-4-sulfonamide?
5-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 329.81 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 60527069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).