2-fluoro-N-(2-hydroxyethyl)-N-pentan-3-yl-5-(trifluoromethyl)benzenesulfonamide

C14H19F4NO3S — CID 75471853

IUPAC2-fluoro-N-(2-hydroxyethyl)-N-pentan-3-yl-5-(trifluoromethyl)benzenesulfonamide
SMILESCCC(CC)N(CCO)S(=O)(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H19F4NO3S/c1-3-11(4-2)19(7-8-20)23(21,22)13-9-10(14(16,17)18)5-6-12(13)15/h5-6,9,11,20H,3-4,7-8H2,1-2H3
InChIKeyCVMCPFNAJILTLN-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.02
Rot. Bonds7

About 2-fluoro-N-(2-hydroxyethyl)-N-pentan-3-yl-5-(trifluoromethyl)benzenesulfonamide

2-fluoro-N-(2-hydroxyethyl)-N-pentan-3-yl-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 75471853) has the molecular formula C14H19F4NO3S and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxyethyl)-N-pentan-3-yl-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxyethyl)-N-pentan-3-yl-5-(trifluoromethyl)benzenesulfonamide
PubChem CID75471853
Molecular FormulaC14H19F4NO3S
Molecular Weight357.37 g/mol
Exact Mass357.10
IUPAC Name2-fluoro-N-(2-hydroxyethyl)-N-pentan-3-yl-5-(trifluoromethyl)benzenesulfonamide
SMILESCCC(CC)N(CCO)S(=O)(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H19F4NO3S/c1-3-11(4-2)19(7-8-20)23(21,22)13-9-10(14(16,17)18)5-6-12(13)15/h5-6,9,11,20H,3-4,7-8H2,1-2H3
InChIKeyCVMCPFNAJILTLN-UHFFFAOYSA-N
XLogP3.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2,4-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzenesulfonamide
CID 107343425
N-(2-bromoethyl)-2,5-difluoro-N-pentan-3-ylbenzenesulfonamide
CID 80675253
2-ethylsulfonyl-1-fluoro-4-(trifluoromethyl)benzene
CID 157365281
3-(aminomethyl)-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzenesulfonamide
CID 63288634
3-chloro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzenesulfonamide
CID 54999331
2-bromo-N-(2-hydroxyethyl)-5-methylsulfonyl-N-pentan-3-ylbenzenesulfonamide
CID 75471854
2-fluoro-5-(trifluoromethyl)benzenesulfonic acid;hydrochloride
CID 174972192
2-[pentan-3-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol
CID 62013930
4-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylbenzenesulfonamide
CID 55208489
1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-1-one
CID 18795518
2-chloro-N-(2-hydroxyethyl)-N-pentyl-5-(trifluoromethyl)benzenesulfonamide
CID 74229500
N-(3-amino-2,2-dimethylpropyl)-2-fluoro-N-methyl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119991818

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxyethyl)-N-pentan-3-yl-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(2-hydroxyethyl)-N-pentan-3-yl-5-(trifluoromethyl)benzenesulfonamide (CID 75471853) is 2-fluoro-N-(2-hydroxyethyl)-N-pentan-3-yl-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxyethyl)-N-pentan-3-yl-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxyethyl)-N-pentan-3-yl-5-(trifluoromethyl)benzenesulfonamide is CCC(CC)N(CCO)S(=O)(=O)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-N-(2-hydroxyethyl)-N-pentan-3-yl-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CVMCPFNAJILTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4NO3S/c1-3-11(4-2)19(7-8-20)23(21,22)13-9-10(14(16,17)18)5-6-12(13)15/h5-6,9,11,20H,3-4,7-8H2,1-2H3.
What are the key properties of 2-fluoro-N-(2-hydroxyethyl)-N-pentan-3-yl-5-(trifluoromethyl)benzenesulfonamide?
2-fluoro-N-(2-hydroxyethyl)-N-pentan-3-yl-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 357.37 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxyethyl)-N-pentan-3-yl-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 75471853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).