N-[4-chloro-2-[(2,3-difluorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide

C23H21ClF2N2O5S — CID 68567982

IUPACN-[4-chloro-2-[(2,3-difluorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)cc2Cc2cccc(F)c2F)cc1OC
InChIInChI=1S/C23H21ClF2N2O5S/c1-32-20-9-7-17(12-21(20)33-2)34(30,31)27-13-22(29)28-19-8-6-16(24)11-15(19)10-14-4-3-5-18(25)23(14)26/h3-9,11-12,27H,10,13H2,1-2H3,(H,28,29)
InChIKeyZMFMYNYPXWMKLZ-UHFFFAOYSA-N
MW510.95 g/mol
LogP4.14
Rot. Bonds9

About N-[4-chloro-2-[(2,3-difluorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide

N-[4-chloro-2-[(2,3-difluorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide (PubChem CID 68567982) has the molecular formula C23H21ClF2N2O5S and a molecular weight of 510.95 g/mol. Its IUPAC name is N-[4-chloro-2-[(2,3-difluorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(2,3-difluorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
PubChem CID68567982
Molecular FormulaC23H21ClF2N2O5S
Molecular Weight510.95 g/mol
Exact Mass510.08
IUPAC NameN-[4-chloro-2-[(2,3-difluorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)cc2Cc2cccc(F)c2F)cc1OC
InChIInChI=1S/C23H21ClF2N2O5S/c1-32-20-9-7-17(12-21(20)33-2)34(30,31)27-13-22(29)28-19-8-6-16(24)11-15(19)10-14-4-3-5-18(25)23(14)26/h3-9,11-12,27H,10,13H2,1-2H3,(H,28,29)
InChIKeyZMFMYNYPXWMKLZ-UHFFFAOYSA-N
XLogP4.14
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.95
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-2-(pyridin-2-ylmethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 68567139
N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 68564783
N-[4-chloro-2-[(2-chlorophenyl)methyl]phenyl]-2-[(2,4,5-trimethoxyphenyl)sulfonylamino]acetamide
CID 68569306
N-[4-chloro-2-[hydroxy(thiophen-2-yl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 68570025
N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-2-[[3-(methylamino)phenyl]sulfonylamino]acetamide
CID 68567323
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 112996092
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide
CID 37497691
N-(2,5-dimethoxyphenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 112999196
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113002239
N-[4-chloro-2-[(2,6-dichlorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-methylacetamide
CID 69223867
N-[4-chloro-2-[(2-chlorophenyl)methyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide
CID 68566142
N-(2,5-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 113001324

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(2,3-difluorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[4-chloro-2-[(2,3-difluorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide (CID 68567982) is N-[4-chloro-2-[(2,3-difluorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[4-chloro-2-[(2,3-difluorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[4-chloro-2-[(2,3-difluorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide is COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)cc2Cc2cccc(F)c2F)cc1OC.
What is the InChIKey of N-[4-chloro-2-[(2,3-difluorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide?
The InChIKey is ZMFMYNYPXWMKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF2N2O5S/c1-32-20-9-7-17(12-21(20)33-2)34(30,31)27-13-22(29)28-19-8-6-16(24)11-15(19)10-14-4-3-5-18(25)23(14)26/h3-9,11-12,27H,10,13H2,1-2H3,(H,28,29).
What are the key properties of N-[4-chloro-2-[(2,3-difluorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide?
N-[4-chloro-2-[(2,3-difluorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide has a molecular weight of 510.95 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(2,3-difluorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 68567982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).