N-cyclopropyl-N-[[3-(1-methoxypropan-2-yloxy)phenyl]methyl]-2-(trifluoromethoxy)benzenesulfonamide

C21H24F3NO5S — CID 45185107

IUPACN-cyclopropyl-N-[[3-(1-methoxypropan-2-yloxy)phenyl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESCOCC(C)Oc1cccc(CN(C2CC2)S(=O)(=O)c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C21H24F3NO5S/c1-15(14-28-2)29-18-7-5-6-16(12-18)13-25(17-10-11-17)31(26,27)20-9-4-3-8-19(20)30-21(22,23)24/h3-9,12,15,17H,10-11,13-14H2,1-2H3
InChIKeyAOLOPSOLOIFZPP-UHFFFAOYSA-N
MW459.49 g/mol
LogP4.35
Rot. Bonds10

About N-cyclopropyl-N-[[3-(1-methoxypropan-2-yloxy)phenyl]methyl]-2-(trifluoromethoxy)benzenesulfonamide

N-cyclopropyl-N-[[3-(1-methoxypropan-2-yloxy)phenyl]methyl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 45185107) has the molecular formula C21H24F3NO5S and a molecular weight of 459.49 g/mol. Its IUPAC name is N-cyclopropyl-N-[[3-(1-methoxypropan-2-yloxy)phenyl]methyl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[3-(1-methoxypropan-2-yloxy)phenyl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID45185107
Molecular FormulaC21H24F3NO5S
Molecular Weight459.49 g/mol
Exact Mass459.13
IUPAC NameN-cyclopropyl-N-[[3-(1-methoxypropan-2-yloxy)phenyl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESCOCC(C)Oc1cccc(CN(C2CC2)S(=O)(=O)c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C21H24F3NO5S/c1-15(14-28-2)29-18-7-5-6-16(12-18)13-25(17-10-11-17)31(26,27)20-9-4-3-8-19(20)30-21(22,23)24/h3-9,12,15,17H,10-11,13-14H2,1-2H3
InChIKeyAOLOPSOLOIFZPP-UHFFFAOYSA-N
XLogP4.35
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 55682151
N,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 55512150
N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 24663515
N-piperidin-4-yl-N-propyl-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119994071
N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61045049
N-(azetidin-3-yl)-N-methyl-2-(trifluoromethoxy)benzenesulfonamide
CID 66187577
N-benzyl-N-cyclopropyl-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 46418348
(E)-N-[[3-[(2S)-1-methoxypropan-2-yl]oxyphenyl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethenesulfonamide
CID 26276857
N-[(3R)-3-hydroxybutyl]-N-methyl-2-(trifluoromethoxy)benzenesulfonamide
CID 97019594
2-[cyclopropyl-[[3-(difluoromethoxy)phenyl]methyl]amino]propanoic acid
CID 122100606
[3-[[cyclopropyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate
CID 42811419
2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554910

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[3-(1-methoxypropan-2-yloxy)phenyl]methyl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[[3-(1-methoxypropan-2-yloxy)phenyl]methyl]-2-(trifluoromethoxy)benzenesulfonamide (CID 45185107) is N-cyclopropyl-N-[[3-(1-methoxypropan-2-yloxy)phenyl]methyl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[[3-(1-methoxypropan-2-yloxy)phenyl]methyl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[[3-(1-methoxypropan-2-yloxy)phenyl]methyl]-2-(trifluoromethoxy)benzenesulfonamide is COCC(C)Oc1cccc(CN(C2CC2)S(=O)(=O)c2ccccc2OC(F)(F)F)c1.
What is the InChIKey of N-cyclopropyl-N-[[3-(1-methoxypropan-2-yloxy)phenyl]methyl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is AOLOPSOLOIFZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO5S/c1-15(14-28-2)29-18-7-5-6-16(12-18)13-25(17-10-11-17)31(26,27)20-9-4-3-8-19(20)30-21(22,23)24/h3-9,12,15,17H,10-11,13-14H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[[3-(1-methoxypropan-2-yloxy)phenyl]methyl]-2-(trifluoromethoxy)benzenesulfonamide?
N-cyclopropyl-N-[[3-(1-methoxypropan-2-yloxy)phenyl]methyl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 459.49 g/mol, XLogP of 4.35, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[3-(1-methoxypropan-2-yloxy)phenyl]methyl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 45185107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).