3-chloro-4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide

C16H15ClF3NO4S — CID 55681731

IUPAC3-chloro-4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccccc2OC(F)(F)F)cc1Cl
InChIInChI=1S/C16H15ClF3NO4S/c1-21(10-11-5-3-4-6-14(11)25-16(18,19)20)26(22,23)12-7-8-15(24-2)13(17)9-12/h3-9H,10H2,1-2H3
InChIKeyMIUFYONNPYVHIJ-UHFFFAOYSA-N
MW409.81 g/mol
LogP4.07
Rot. Bonds6

About 3-chloro-4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide

3-chloro-4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (PubChem CID 55681731) has the molecular formula C16H15ClF3NO4S and a molecular weight of 409.81 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
PubChem CID55681731
Molecular FormulaC16H15ClF3NO4S
Molecular Weight409.81 g/mol
Exact Mass409.04
IUPAC Name3-chloro-4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccccc2OC(F)(F)F)cc1Cl
InChIInChI=1S/C16H15ClF3NO4S/c1-21(10-11-5-3-4-6-14(11)25-16(18,19)20)26(22,23)12-7-8-15(24-2)13(17)9-12/h3-9H,10H2,1-2H3
InChIKeyMIUFYONNPYVHIJ-UHFFFAOYSA-N
XLogP4.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.81
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 37497114
N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-sulfonamide
CID 52561453
3-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937737
3-bromo-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 30329135
1-acetyl-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 55542300
4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 55639103
4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 30328481
N-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methoxy-N-methylbenzenesulfonamide
CID 37498744
4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide
CID 112822977
3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94621880
3-chloro-4-methoxy-N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 100513954
N-[4-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide
CID 2664445

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (CID 55681731) is 3-chloro-4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)Cc2ccccc2OC(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is MIUFYONNPYVHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3NO4S/c1-21(10-11-5-3-4-6-14(11)25-16(18,19)20)26(22,23)12-7-8-15(24-2)13(17)9-12/h3-9H,10H2,1-2H3.
What are the key properties of 3-chloro-4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
3-chloro-4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 409.81 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 55681731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).