N-(3-ethoxypropyl)-3,3,3-trifluoropropane-1-sulfonamide

C8H16F3NO3S — CID 99802931

IUPACN-(3-ethoxypropyl)-3,3,3-trifluoropropane-1-sulfonamide
SMILESCCOCCCNS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-2-15-6-3-5-12-16(13,14)7-4-8(9,10)11/h12H,2-7H2,1H3
InChIKeyRHFTWFPVNSYJHU-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.28
Rot. Bonds8

About N-(3-ethoxypropyl)-3,3,3-trifluoropropane-1-sulfonamide

N-(3-ethoxypropyl)-3,3,3-trifluoropropane-1-sulfonamide (PubChem CID 99802931) has the molecular formula C8H16F3NO3S and a molecular weight of 263.28 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3,3,3-trifluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3,3,3-trifluoropropane-1-sulfonamide
PubChem CID99802931
Molecular FormulaC8H16F3NO3S
Molecular Weight263.28 g/mol
Exact Mass263.08
IUPAC NameN-(3-ethoxypropyl)-3,3,3-trifluoropropane-1-sulfonamide
SMILESCCOCCCNS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-2-15-6-3-5-12-16(13,14)7-4-8(9,10)11/h12H,2-7H2,1H3
InChIKeyRHFTWFPVNSYJHU-UHFFFAOYSA-N
XLogP1.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide
CID 71905535
N-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine
CID 115513495
2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide
CID 63245767
2-ethoxy-N-(4-iodobutyl)ethanesulfonamide
CID 106846595
N-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide
CID 114171594
3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine
CID 82958428
12-(3-ethoxypropylsulfanyl)dodecyl-dimethyl-(3,3,3-trifluoropropyl)-λ4-sulfane
CID 162744342
2-amino-N-(3-propoxypropyl)ethanesulfonamide
CID 82940128
N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106125756
3-chloro-N-(4,4,4-trifluorobutyl)propane-1-sulfonamide
CID 115521751
2-ethoxy-N-[2-(methylamino)ethyl]ethanesulfonamide;hydrochloride
CID 119973004
N-(3-azidopropyl)-2-ethoxyethanesulfonamide
CID 63246818

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3,3,3-trifluoropropane-1-sulfonamide?
The IUPAC name of N-(3-ethoxypropyl)-3,3,3-trifluoropropane-1-sulfonamide (CID 99802931) is N-(3-ethoxypropyl)-3,3,3-trifluoropropane-1-sulfonamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3,3,3-trifluoropropane-1-sulfonamide?
The canonical SMILES for N-(3-ethoxypropyl)-3,3,3-trifluoropropane-1-sulfonamide is CCOCCCNS(=O)(=O)CCC(F)(F)F.
What is the InChIKey of N-(3-ethoxypropyl)-3,3,3-trifluoropropane-1-sulfonamide?
The InChIKey is RHFTWFPVNSYJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO3S/c1-2-15-6-3-5-12-16(13,14)7-4-8(9,10)11/h12H,2-7H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-3,3,3-trifluoropropane-1-sulfonamide?
N-(3-ethoxypropyl)-3,3,3-trifluoropropane-1-sulfonamide has a molecular weight of 263.28 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3,3,3-trifluoropropane-1-sulfonamide is sourced from PubChem (CID 99802931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).