N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide

C16H14ClF3N2O4S — CID 26835965

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14ClF3N2O4S/c1-22(27(24,25)12-5-2-10(18)3-6-12)9-15(23)21-11-4-7-14(13(17)8-11)26-16(19)20/h2-8,16H,9H2,1H3,(H,21,23)
InChIKeyCFHQZDUCWNOXEL-UHFFFAOYSA-N
MW422.81 g/mol
LogP3.34
Rot. Bonds7

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 26835965) has the molecular formula C16H14ClF3N2O4S and a molecular weight of 422.81 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
PubChem CID26835965
Molecular FormulaC16H14ClF3N2O4S
Molecular Weight422.81 g/mol
Exact Mass422.03
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14ClF3N2O4S/c1-22(27(24,25)12-5-2-10(18)3-6-12)9-15(23)21-11-4-7-14(13(17)8-11)26-16(19)20/h2-8,16H,9H2,1H3,(H,21,23)
InChIKeyCFHQZDUCWNOXEL-UHFFFAOYSA-N
XLogP3.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.81
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 1319537
N-tert-butyl-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetamide
CID 37499853
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173
2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid
CID 43351470
N-(4-acetamidophenyl)-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-ethylamino]acetamide
CID 37496456
N-(3,4-dichlorophenyl)-2-[(3,4-difluorophenyl)sulfonyl-methylamino]acetamide
CID 30329958
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 9495307
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 41446708
2-[(3-acetamido-4-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 8797485
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 45373445
N-[4-chloro-3-(difluoromethoxy)phenyl]-2-(dimethylamino)acetamide
CID 86805225

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (CID 26835965) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is CN(CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is CFHQZDUCWNOXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O4S/c1-22(27(24,25)12-5-2-10(18)3-6-12)9-15(23)21-11-4-7-14(13(17)8-11)26-16(19)20/h2-8,16H,9H2,1H3,(H,21,23).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 422.81 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 26835965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).