N-(6-methylheptan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide

C15H22F3NO3S — CID 17154344

IUPACN-(6-methylheptan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCC(C)CCCC(C)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO3S/c1-11(2)5-4-6-12(3)19-23(20,21)14-9-7-13(8-10-14)22-15(16,17)18/h7-12,19H,4-6H2,1-3H3
InChIKeyJCGXAUBNFFFYQR-UHFFFAOYSA-N
MW353.41 g/mol
LogP4.08
Rot. Bonds8

About N-(6-methylheptan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide

N-(6-methylheptan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 17154344) has the molecular formula C15H22F3NO3S and a molecular weight of 353.41 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID17154344
Molecular FormulaC15H22F3NO3S
Molecular Weight353.41 g/mol
Exact Mass353.13
IUPAC NameN-(6-methylheptan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCC(C)CCCC(C)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO3S/c1-11(2)5-4-6-12(3)19-23(20,21)14-9-7-13(8-10-14)22-15(16,17)18/h7-12,19H,4-6H2,1-3H3
InChIKeyJCGXAUBNFFFYQR-UHFFFAOYSA-N
XLogP4.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 19681894
N-[(2R)-1-aminopropan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 104873326
4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470475
4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide
CID 2289585
4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470980
4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470913
N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide
CID 2286865
N-[2-methyl-3-(methylamino)propyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 115302773
4-(5-methylhexan-2-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958176
diethyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanedioate
CID 3716840
ethyl 3-methyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoate
CID 2809519
N-[1-[(2S)-1-methylpiperidin-2-yl]propan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 170430331

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(6-methylheptan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide (CID 17154344) is N-(6-methylheptan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide is CC(C)CCCC(C)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(6-methylheptan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is JCGXAUBNFFFYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO3S/c1-11(2)5-4-6-12(3)19-23(20,21)14-9-7-13(8-10-14)22-15(16,17)18/h7-12,19H,4-6H2,1-3H3.
What are the key properties of N-(6-methylheptan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(6-methylheptan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 353.41 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 17154344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).