4,4,4-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbutane-1-sulfonamide

C11H22F3NO3S — CID 83059408

IUPAC4,4,4-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbutane-1-sulfonamide
SMILESCCC(CC)N(CCO)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H22F3NO3S/c1-3-10(4-2)15(7-8-16)19(17,18)9-5-6-11(12,13)14/h10,16H,3-9H2,1-2H3
InChIKeyPSCBKUQAUKWMPX-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.14
Rot. Bonds9

About 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbutane-1-sulfonamide

4,4,4-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbutane-1-sulfonamide (PubChem CID 83059408) has the molecular formula C11H22F3NO3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbutane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbutane-1-sulfonamide
PubChem CID83059408
Molecular FormulaC11H22F3NO3S
Molecular Weight305.36 g/mol
Exact Mass305.13
IUPAC Name4,4,4-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbutane-1-sulfonamide
SMILESCCC(CC)N(CCO)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H22F3NO3S/c1-3-10(4-2)15(7-8-16)19(17,18)9-5-6-11(12,13)14/h10,16H,3-9H2,1-2H3
InChIKeyPSCBKUQAUKWMPX-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbutane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbutane-1-sulfonamide (CID 83059408) is 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbutane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbutane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbutane-1-sulfonamide is CCC(CC)N(CCO)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbutane-1-sulfonamide?
The InChIKey is PSCBKUQAUKWMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO3S/c1-3-10(4-2)15(7-8-16)19(17,18)9-5-6-11(12,13)14/h10,16H,3-9H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbutane-1-sulfonamide?
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbutane-1-sulfonamide has a molecular weight of 305.36 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbutane-1-sulfonamide is sourced from PubChem (CID 83059408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).