4-methoxy-N-[4-(trifluoromethylsulfanyl)cycloheptyl]benzenesulfonamide

C15H20F3NO3S2 — CID 166443339

IUPAC4-methoxy-N-[4-(trifluoromethylsulfanyl)cycloheptyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCC(SC(F)(F)F)CC2)cc1
InChIInChI=1S/C15H20F3NO3S2/c1-22-12-6-9-14(10-7-12)24(20,21)19-11-3-2-4-13(8-5-11)23-15(16,17)18/h6-7,9-11,13,19H,2-5,8H2,1H3
InChIKeyIHCNJFDWYCOYBI-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.93
Rot. Bonds5

About 4-methoxy-N-[4-(trifluoromethylsulfanyl)cycloheptyl]benzenesulfonamide

4-methoxy-N-[4-(trifluoromethylsulfanyl)cycloheptyl]benzenesulfonamide (PubChem CID 166443339) has the molecular formula C15H20F3NO3S2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 4-methoxy-N-[4-(trifluoromethylsulfanyl)cycloheptyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(trifluoromethylsulfanyl)cycloheptyl]benzenesulfonamide
PubChem CID166443339
Molecular FormulaC15H20F3NO3S2
Molecular Weight383.46 g/mol
Exact Mass383.08
IUPAC Name4-methoxy-N-[4-(trifluoromethylsulfanyl)cycloheptyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCC(SC(F)(F)F)CC2)cc1
InChIInChI=1S/C15H20F3NO3S2/c1-22-12-6-9-14(10-7-12)24(20,21)19-11-3-2-4-13(8-5-11)23-15(16,17)18/h6-7,9-11,13,19H,2-5,8H2,1H3
InChIKeyIHCNJFDWYCOYBI-UHFFFAOYSA-N
XLogP3.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808728
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407
4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964408
4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 50823789
4-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712586
4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 32684915
methyl 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylate
CID 58291888
N-[(4aS,6R,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-4-(4-methoxyphenyl)benzenesulfonamide
CID 124760329
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide
CID 112980023
N-[4-(2,4-dihydroxyphenyl)cyclohexyl]-4-methoxybenzenesulfonamide
CID 10199598
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823745
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 45374111

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(trifluoromethylsulfanyl)cycloheptyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[4-(trifluoromethylsulfanyl)cycloheptyl]benzenesulfonamide (CID 166443339) is 4-methoxy-N-[4-(trifluoromethylsulfanyl)cycloheptyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[4-(trifluoromethylsulfanyl)cycloheptyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[4-(trifluoromethylsulfanyl)cycloheptyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCCC(SC(F)(F)F)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(trifluoromethylsulfanyl)cycloheptyl]benzenesulfonamide?
The InChIKey is IHCNJFDWYCOYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO3S2/c1-22-12-6-9-14(10-7-12)24(20,21)19-11-3-2-4-13(8-5-11)23-15(16,17)18/h6-7,9-11,13,19H,2-5,8H2,1H3.
What are the key properties of 4-methoxy-N-[4-(trifluoromethylsulfanyl)cycloheptyl]benzenesulfonamide?
4-methoxy-N-[4-(trifluoromethylsulfanyl)cycloheptyl]benzenesulfonamide has a molecular weight of 383.46 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(trifluoromethylsulfanyl)cycloheptyl]benzenesulfonamide is sourced from PubChem (CID 166443339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).