2-[[(2,4-dichlorobenzoyl)amino]methyl]-4,5-dimethoxybenzenesulfonyl chloride

C16H14Cl3NO5S — CID 46741538

IUPAC2-[[(2,4-dichlorobenzoyl)amino]methyl]-4,5-dimethoxybenzenesulfonyl chloride
SMILESCOc1cc(CNC(=O)c2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)cc1OC
InChIInChI=1S/C16H14Cl3NO5S/c1-24-13-5-9(15(26(19,22)23)7-14(13)25-2)8-20-16(21)11-4-3-10(17)6-12(11)18/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyDWRYVAKOYOOOKU-UHFFFAOYSA-N
MW438.72 g/mol
LogP3.87
Rot. Bonds6

About 2-[[(2,4-dichlorobenzoyl)amino]methyl]-4,5-dimethoxybenzenesulfonyl chloride

2-[[(2,4-dichlorobenzoyl)amino]methyl]-4,5-dimethoxybenzenesulfonyl chloride (PubChem CID 46741538) has the molecular formula C16H14Cl3NO5S and a molecular weight of 438.72 g/mol. Its IUPAC name is 2-[[(2,4-dichlorobenzoyl)amino]methyl]-4,5-dimethoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2-[[(2,4-dichlorobenzoyl)amino]methyl]-4,5-dimethoxybenzenesulfonyl chloride
PubChem CID46741538
Molecular FormulaC16H14Cl3NO5S
Molecular Weight438.72 g/mol
Exact Mass436.97
IUPAC Name2-[[(2,4-dichlorobenzoyl)amino]methyl]-4,5-dimethoxybenzenesulfonyl chloride
SMILESCOc1cc(CNC(=O)c2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)cc1OC
InChIInChI=1S/C16H14Cl3NO5S/c1-24-13-5-9(15(26(19,22)23)7-14(13)25-2)8-20-16(21)11-4-3-10(17)6-12(11)18/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyDWRYVAKOYOOOKU-UHFFFAOYSA-N
XLogP3.87
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.72
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(2,4-dichlorobenzoyl)amino]methyl]-4,5-dimethoxybenzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]benzoic acid
CID 59219274
N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide
CID 55329564
N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide
CID 60972237
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
N-[(2,4-dichlorophenyl)methyl]-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide
CID 30148202
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
CID 9268844
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 4794585
2,4-dichloro-N-[[5-(2-fluoro-5-formylphenyl)-2-methoxyphenyl]methyl]benzamide
CID 89092609
2,4-dichloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide
CID 46483761
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide
CID 54785477
2,4-dichloro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 9188433
2,4-dichloro-N-[[5-(5-formylfuran-2-yl)-2-methoxyphenyl]methyl]benzamide
CID 89092764

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-dichlorobenzoyl)amino]methyl]-4,5-dimethoxybenzenesulfonyl chloride?
The IUPAC name of 2-[[(2,4-dichlorobenzoyl)amino]methyl]-4,5-dimethoxybenzenesulfonyl chloride (CID 46741538) is 2-[[(2,4-dichlorobenzoyl)amino]methyl]-4,5-dimethoxybenzenesulfonyl chloride.
What is the SMILES notation for 2-[[(2,4-dichlorobenzoyl)amino]methyl]-4,5-dimethoxybenzenesulfonyl chloride?
The canonical SMILES for 2-[[(2,4-dichlorobenzoyl)amino]methyl]-4,5-dimethoxybenzenesulfonyl chloride is COc1cc(CNC(=O)c2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)cc1OC.
What is the InChIKey of 2-[[(2,4-dichlorobenzoyl)amino]methyl]-4,5-dimethoxybenzenesulfonyl chloride?
The InChIKey is DWRYVAKOYOOOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO5S/c1-24-13-5-9(15(26(19,22)23)7-14(13)25-2)8-20-16(21)11-4-3-10(17)6-12(11)18/h3-7H,8H2,1-2H3,(H,20,21).
What are the key properties of 2-[[(2,4-dichlorobenzoyl)amino]methyl]-4,5-dimethoxybenzenesulfonyl chloride?
2-[[(2,4-dichlorobenzoyl)amino]methyl]-4,5-dimethoxybenzenesulfonyl chloride has a molecular weight of 438.72 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-dichlorobenzoyl)amino]methyl]-4,5-dimethoxybenzenesulfonyl chloride is sourced from PubChem (CID 46741538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).