N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethoxy)benzenesulfonamide

C15H22F3NO4S — CID 52620638

IUPACN-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethoxy)benzenesulfonamide
SMILESCCC(CC)N(CCOC)S(=O)(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H22F3NO4S/c1-4-12(5-2)19(9-10-22-3)24(20,21)14-8-6-7-13(11-14)23-15(16,17)18/h6-8,11-12H,4-5,9-10H2,1-3H3
InChIKeyZXAWHIRCPNCGOF-UHFFFAOYSA-N
MW369.41 g/mol
LogP3.41
Rot. Bonds9

About N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethoxy)benzenesulfonamide

N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 52620638) has the molecular formula C15H22F3NO4S and a molecular weight of 369.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID52620638
Molecular FormulaC15H22F3NO4S
Molecular Weight369.41 g/mol
Exact Mass369.12
IUPAC NameN-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethoxy)benzenesulfonamide
SMILESCCC(CC)N(CCOC)S(=O)(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H22F3NO4S/c1-4-12(5-2)19(9-10-22-3)24(20,21)14-8-6-7-13(11-14)23-15(16,17)18/h6-8,11-12H,4-5,9-10H2,1-3H3
InChIKeyZXAWHIRCPNCGOF-UHFFFAOYSA-N
XLogP3.41
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 60539885
4-amino-3-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbenzenesulfonamide
CID 62058154
3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82959752
3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948814
3-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82965253
3-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 61060778
3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82951128
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
N-(2-aminoethyl)-3-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 55243728
N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 51966637
N-cyclopentyl-N-methyl-3-(trifluoromethoxy)benzenesulfonamide
CID 112812725
N,N-diethyl-2-methyl-5-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzenesulfonamide
CID 31692130

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethoxy)benzenesulfonamide (CID 52620638) is N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethoxy)benzenesulfonamide is CCC(CC)N(CCOC)S(=O)(=O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is ZXAWHIRCPNCGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO4S/c1-4-12(5-2)19(9-10-22-3)24(20,21)14-8-6-7-13(11-14)23-15(16,17)18/h6-8,11-12H,4-5,9-10H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethoxy)benzenesulfonamide?
N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 369.41 g/mol, XLogP of 3.41, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 52620638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).