N-[4,5-dichloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide

C23H21Cl3N2O6S — CID 68567259

IUPACN-[4,5-dichloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)Nc2cc(Cl)c(Cl)cc2C(O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C23H21Cl3N2O6S/c1-33-20-8-7-13(9-21(20)34-2)35(31,32)27-12-22(29)28-19-11-18(26)17(25)10-15(19)23(30)14-5-3-4-6-16(14)24/h3-11,23,27,30H,12H2,1-2H3,(H,28,29)
InChIKeyFFSKCBSSMWQWPH-UHFFFAOYSA-N
MW559.86 g/mol
LogP4.66
Rot. Bonds9

About N-[4,5-dichloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide

N-[4,5-dichloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide (PubChem CID 68567259) has the molecular formula C23H21Cl3N2O6S and a molecular weight of 559.86 g/mol. Its IUPAC name is N-[4,5-dichloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[4,5-dichloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
PubChem CID68567259
Molecular FormulaC23H21Cl3N2O6S
Molecular Weight559.86 g/mol
Exact Mass558.02
IUPAC NameN-[4,5-dichloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)Nc2cc(Cl)c(Cl)cc2C(O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C23H21Cl3N2O6S/c1-33-20-8-7-13(9-21(20)34-2)35(31,32)27-12-22(29)28-19-11-18(26)17(25)10-15(19)23(30)14-5-3-4-6-16(14)24/h3-11,23,27,30H,12H2,1-2H3,(H,28,29)
InChIKeyFFSKCBSSMWQWPH-UHFFFAOYSA-N
XLogP4.66
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.86
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4,5-dichloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide with MolForge

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Related Compounds

N-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 68566152
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 112996092
N-[4-chloro-2-[hydroxy(thiophen-2-yl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 68570025
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide
CID 37497691
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide
CID 90623899
N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide
CID 126128860
N-[4-chloro-2-(pyridin-2-ylmethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 68567139
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 112999206
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 3747735
N-[4-chloro-2-[(2,3-difluorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 68567982
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998755
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 112999269

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dichloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[4,5-dichloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide (CID 68567259) is N-[4,5-dichloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[4,5-dichloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[4,5-dichloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide is COc1ccc(S(=O)(=O)NCC(=O)Nc2cc(Cl)c(Cl)cc2C(O)c2ccccc2Cl)cc1OC.
What is the InChIKey of N-[4,5-dichloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide?
The InChIKey is FFSKCBSSMWQWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl3N2O6S/c1-33-20-8-7-13(9-21(20)34-2)35(31,32)27-12-22(29)28-19-11-18(26)17(25)10-15(19)23(30)14-5-3-4-6-16(14)24/h3-11,23,27,30H,12H2,1-2H3,(H,28,29).
What are the key properties of N-[4,5-dichloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide?
N-[4,5-dichloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide has a molecular weight of 559.86 g/mol, XLogP of 4.66, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dichloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 68567259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).