N-(3-ethyl-2-hydroxypentyl)-4,4,4-trifluorobutane-1-sulfonamide

C11H22F3NO3S — CID 103943158

IUPACN-(3-ethyl-2-hydroxypentyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H22F3NO3S/c1-3-9(4-2)10(16)8-15-19(17,18)7-5-6-11(12,13)14/h9-10,15-16H,3-8H2,1-2H3
InChIKeyHNUCXJWXWIFMPE-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.05
Rot. Bonds9

About N-(3-ethyl-2-hydroxypentyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(3-ethyl-2-hydroxypentyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 103943158) has the molecular formula C11H22F3NO3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID103943158
Molecular FormulaC11H22F3NO3S
Molecular Weight305.36 g/mol
Exact Mass305.13
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H22F3NO3S/c1-3-9(4-2)10(16)8-15-19(17,18)7-5-6-11(12,13)14/h9-10,15-16H,3-8H2,1-2H3
InChIKeyHNUCXJWXWIFMPE-UHFFFAOYSA-N
XLogP2.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 103943158) is N-(3-ethyl-2-hydroxypentyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-4,4,4-trifluorobutane-1-sulfonamide is CCC(CC)C(O)CNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is HNUCXJWXWIFMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO3S/c1-3-9(4-2)10(16)8-15-19(17,18)7-5-6-11(12,13)14/h9-10,15-16H,3-8H2,1-2H3.
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(3-ethyl-2-hydroxypentyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 305.36 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 103943158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).