N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-2-[[3-(methylamino)phenyl]sulfonylamino]acetamide

C22H20ClF2N3O3S — CID 68567323

IUPACN-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-2-[[3-(methylamino)phenyl]sulfonylamino]acetamide
SMILESCNc1cccc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)cc2Cc2c(F)cccc2F)c1
InChIInChI=1S/C22H20ClF2N3O3S/c1-26-16-4-2-5-17(12-16)32(30,31)27-13-22(29)28-21-9-8-15(23)10-14(21)11-18-19(24)6-3-7-20(18)25/h2-10,12,26-27H,11,13H2,1H3,(H,28,29)
InChIKeyKSWBPGWXMTWNEK-UHFFFAOYSA-N
MW479.94 g/mol
LogP4.17
Rot. Bonds8

About N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-2-[[3-(methylamino)phenyl]sulfonylamino]acetamide

N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-2-[[3-(methylamino)phenyl]sulfonylamino]acetamide (PubChem CID 68567323) has the molecular formula C22H20ClF2N3O3S and a molecular weight of 479.94 g/mol. Its IUPAC name is N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-2-[[3-(methylamino)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-2-[[3-(methylamino)phenyl]sulfonylamino]acetamide
PubChem CID68567323
Molecular FormulaC22H20ClF2N3O3S
Molecular Weight479.94 g/mol
Exact Mass479.09
IUPAC NameN-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-2-[[3-(methylamino)phenyl]sulfonylamino]acetamide
SMILESCNc1cccc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)cc2Cc2c(F)cccc2F)c1
InChIInChI=1S/C22H20ClF2N3O3S/c1-26-16-4-2-5-17(12-16)32(30,31)27-13-22(29)28-21-9-8-15(23)10-14(21)11-18-19(24)6-3-7-20(18)25/h2-10,12,26-27H,11,13H2,1H3,(H,28,29)
InChIKeyKSWBPGWXMTWNEK-UHFFFAOYSA-N
XLogP4.17
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.94
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-2-[(2,3-difluorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 68567982
N-(4-chloro-2-methylphenyl)-2-[(3-chlorophenyl)sulfonylamino]acetamide
CID 112998154
N-(4-acetamidophenyl)-2-[(3-chlorophenyl)sulfonylamino]acetamide
CID 112999785
N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 68564783
N-(2,5-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 113001324
N-[4-chloro-2-(pyridin-2-ylmethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 68567139
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 52813347
N-[4-chloro-2-[(2-chlorophenyl)methyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide
CID 68566142
2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2-methylphenyl)acetamide
CID 112998145
N-(3,5-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 113001384
N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112998153
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113002239

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-2-[[3-(methylamino)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-2-[[3-(methylamino)phenyl]sulfonylamino]acetamide (CID 68567323) is N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-2-[[3-(methylamino)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-2-[[3-(methylamino)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-2-[[3-(methylamino)phenyl]sulfonylamino]acetamide is CNc1cccc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)cc2Cc2c(F)cccc2F)c1.
What is the InChIKey of N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-2-[[3-(methylamino)phenyl]sulfonylamino]acetamide?
The InChIKey is KSWBPGWXMTWNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF2N3O3S/c1-26-16-4-2-5-17(12-16)32(30,31)27-13-22(29)28-21-9-8-15(23)10-14(21)11-18-19(24)6-3-7-20(18)25/h2-10,12,26-27H,11,13H2,1H3,(H,28,29).
What are the key properties of N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-2-[[3-(methylamino)phenyl]sulfonylamino]acetamide?
N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-2-[[3-(methylamino)phenyl]sulfonylamino]acetamide has a molecular weight of 479.94 g/mol, XLogP of 4.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-2-[[3-(methylamino)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 68567323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).