methyl 5-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]-2-methoxybenzoate

C17H17Cl2NO5S — CID 56581815

IUPACmethyl 5-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)ccc1OC
InChIInChI=1S/C17H17Cl2NO5S/c1-24-16-6-4-11(7-13(16)17(21)25-2)9-20-26(22,23)10-12-3-5-14(18)15(19)8-12/h3-8,20H,9-10H2,1-2H3
InChIKeySQGFBZVDZPDZHW-UHFFFAOYSA-N
MW418.30 g/mol
LogP3.41
Rot. Bonds7

About methyl 5-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]-2-methoxybenzoate

methyl 5-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]-2-methoxybenzoate (PubChem CID 56581815) has the molecular formula C17H17Cl2NO5S and a molecular weight of 418.30 g/mol. Its IUPAC name is methyl 5-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]-2-methoxybenzoate
PubChem CID56581815
Molecular FormulaC17H17Cl2NO5S
Molecular Weight418.30 g/mol
Exact Mass417.02
IUPAC Namemethyl 5-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)ccc1OC
InChIInChI=1S/C17H17Cl2NO5S/c1-24-16-6-4-11(7-13(16)17(21)25-2)9-20-26(22,23)10-12-3-5-14(18)15(19)8-12/h3-8,20H,9-10H2,1-2H3
InChIKeySQGFBZVDZPDZHW-UHFFFAOYSA-N
XLogP3.41
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]-2-methoxybenzoate with MolForge

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Related Compounds

methyl 5-(methanesulfonamidomethyl)-2-methoxybenzoate
CID 51179291
1-N,3-N-bis[(3,4-dichlorophenyl)methyl]-4-methoxybenzene-1,3-disulfonamide
CID 141131546
methyl 2-[(3,4-dichlorophenyl)methylsulfonyloxy]-4-methoxybenzoate
CID 56579059
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 46771997
N-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110779823
methyl 5-[[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]methyl]-2-methoxybenzoate
CID 78833533
methyl 2-methoxy-5-[(4-methoxy-3-methoxycarbonylphenyl)methylselanylmethyl]benzoate
CID 58884067
1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanesulfonamide
CID 46772712
methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate
CID 119726463
methyl 4-[(benzylsulfonylamino)methyl]-2-fluorobenzoate
CID 126506140
N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 17375973
1-[4-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]phenyl]-3-propan-2-ylurea
CID 56581852

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]-2-methoxybenzoate?
The IUPAC name of methyl 5-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]-2-methoxybenzoate (CID 56581815) is methyl 5-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]-2-methoxybenzoate is COC(=O)c1cc(CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)ccc1OC.
What is the InChIKey of methyl 5-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]-2-methoxybenzoate?
The InChIKey is SQGFBZVDZPDZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO5S/c1-24-16-6-4-11(7-13(16)17(21)25-2)9-20-26(22,23)10-12-3-5-14(18)15(19)8-12/h3-8,20H,9-10H2,1-2H3.
What are the key properties of methyl 5-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]-2-methoxybenzoate?
methyl 5-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]-2-methoxybenzoate has a molecular weight of 418.30 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]-2-methoxybenzoate is sourced from PubChem (CID 56581815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).