3-methyl-4-propan-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide

C17H24F3NO3S — CID 55691532

IUPAC3-methyl-4-propan-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCCC(C(F)(F)F)C2)ccc1OC(C)C
InChIInChI=1S/C17H24F3NO3S/c1-11(2)24-16-8-7-15(9-12(16)3)25(22,23)21-14-6-4-5-13(10-14)17(18,19)20/h7-9,11,13-14,21H,4-6,10H2,1-3H3
InChIKeyNDIXKFYPHHOHJH-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.18
Rot. Bonds5

About 3-methyl-4-propan-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide

3-methyl-4-propan-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide (PubChem CID 55691532) has the molecular formula C17H24F3NO3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-methyl-4-propan-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-4-propan-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide
PubChem CID55691532
Molecular FormulaC17H24F3NO3S
Molecular Weight379.44 g/mol
Exact Mass379.14
IUPAC Name3-methyl-4-propan-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCCC(C(F)(F)F)C2)ccc1OC(C)C
InChIInChI=1S/C17H24F3NO3S/c1-11(2)24-16-8-7-15(9-12(16)3)25(22,23)21-14-6-4-5-13(10-14)17(18,19)20/h7-9,11,13-14,21H,4-6,10H2,1-3H3
InChIKeyNDIXKFYPHHOHJH-UHFFFAOYSA-N
XLogP4.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 32684915
N-[2-methoxy-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]sulfamoyl]phenyl]acetamide
CID 32686079
3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
CID 60764228
N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 82294732
3-methyl-N-(1-piperidin-3-ylethyl)-4-propan-2-yloxybenzenesulfonamide
CID 119970212
3-methyl-N-(3-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 120724685
N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 43258959
N-(1H-imidazol-2-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 63562561
4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545155
3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 112812300
N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide
CID 35202091
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 129369369

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 3-methyl-4-propan-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide (CID 55691532) is 3-methyl-4-propan-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-4-propan-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-4-propan-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NC2CCCC(C(F)(F)F)C2)ccc1OC(C)C.
What is the InChIKey of 3-methyl-4-propan-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The InChIKey is NDIXKFYPHHOHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO3S/c1-11(2)24-16-8-7-15(9-12(16)3)25(22,23)21-14-6-4-5-13(10-14)17(18,19)20/h7-9,11,13-14,21H,4-6,10H2,1-3H3.
What are the key properties of 3-methyl-4-propan-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
3-methyl-4-propan-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide has a molecular weight of 379.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 55691532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).