N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide

C21H24ClN3O4S — CID 42818630

IUPACN-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(Cc1nccn1Cc1ccccc1Cl)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C21H24ClN3O4S/c1-28-14-13-25(30(26,27)19-9-7-18(29-2)8-10-19)16-21-23-11-12-24(21)15-17-5-3-4-6-20(17)22/h3-12H,13-16H2,1-2H3
InChIKeyTVRVHKHSGJPKAM-UHFFFAOYSA-N
MW449.96 g/mol
LogP3.43
Rot. Bonds10

About N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide

N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 42818630) has the molecular formula C21H24ClN3O4S and a molecular weight of 449.96 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID42818630
Molecular FormulaC21H24ClN3O4S
Molecular Weight449.96 g/mol
Exact Mass449.12
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(Cc1nccn1Cc1ccccc1Cl)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C21H24ClN3O4S/c1-28-14-13-25(30(26,27)19-9-7-18(29-2)8-10-19)16-21-23-11-12-24(21)15-17-5-3-4-6-20(17)22/h3-12H,13-16H2,1-2H3
InChIKeyTVRVHKHSGJPKAM-UHFFFAOYSA-N
XLogP3.43
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 42818627
4-methoxy-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 42819785
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide
CID 42818844
N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 7510019
2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82557938
1-[(2-chlorophenyl)methyl]-2-(5-methoxy-2-phenylphenyl)imidazole
CID 90791888
4-methoxy-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 3552331
1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole
CID 94696998
[4-[[(4-chlorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate
CID 4242326
N-(2-methoxyethyl)-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide
CID 42819440
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 46009783
N-(2-methoxyethyl)-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]propanamide
CID 42819438

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide (CID 42818630) is N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide is COCCN(Cc1nccn1Cc1ccccc1Cl)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is TVRVHKHSGJPKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4S/c1-28-14-13-25(30(26,27)19-9-7-18(29-2)8-10-19)16-21-23-11-12-24(21)15-17-5-3-4-6-20(17)22/h3-12H,13-16H2,1-2H3.
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide?
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 449.96 g/mol, XLogP of 3.43, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 42818630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).