N-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl]-2-methoxyacetamide

C16H15ClF2N2O5S — CID 39831666

IUPACN-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1
InChIInChI=1S/C16H15ClF2N2O5S/c1-25-9-15(22)20-10-3-2-4-11(7-10)21-27(23,24)12-5-6-14(13(17)8-12)26-16(18)19/h2-8,16,21H,9H2,1H3,(H,20,22)
InChIKeySQNIQARIPMCCTI-UHFFFAOYSA-N
MW420.82 g/mol
LogP3.33
Rot. Bonds8

About N-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl]-2-methoxyacetamide

N-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl]-2-methoxyacetamide (PubChem CID 39831666) has the molecular formula C16H15ClF2N2O5S and a molecular weight of 420.82 g/mol. Its IUPAC name is N-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl]-2-methoxyacetamide
PubChem CID39831666
Molecular FormulaC16H15ClF2N2O5S
Molecular Weight420.82 g/mol
Exact Mass420.04
IUPAC NameN-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1
InChIInChI=1S/C16H15ClF2N2O5S/c1-25-9-15(22)20-10-3-2-4-11(7-10)21-27(23,24)12-5-6-14(13(17)8-12)26-16(18)19/h2-8,16,21H,9H2,1H3,(H,20,22)
InChIKeySQNIQARIPMCCTI-UHFFFAOYSA-N
XLogP3.33
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.82
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 35545961
2-methoxy-N-[3-[(4-methylsulfonylphenyl)sulfonylamino]phenyl]acetamide
CID 25335006
S-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl] N,N-dimethylcarbamothioate
CID 56506575
3-acetyl-N-[3-chloro-4-(difluoromethoxy)phenyl]benzenesulfonamide
CID 2466269
2-methoxy-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
CID 35546488
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-chlorophenyl)acetamide
CID 126263338
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide
CID 1265933
2-methoxy-N-[3-(methylsulfamoyl)phenyl]acetamide
CID 47175857
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 46576758
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 3618567
(2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104936024
3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65034786

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl]-2-methoxyacetamide (CID 39831666) is N-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl]-2-methoxyacetamide is COCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1.
What is the InChIKey of N-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl]-2-methoxyacetamide?
The InChIKey is SQNIQARIPMCCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O5S/c1-25-9-15(22)20-10-3-2-4-11(7-10)21-27(23,24)12-5-6-14(13(17)8-12)26-16(18)19/h2-8,16,21H,9H2,1H3,(H,20,22).
What are the key properties of N-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl]-2-methoxyacetamide?
N-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl]-2-methoxyacetamide has a molecular weight of 420.82 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 39831666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).