N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide

C11H15F3N2O2S — CID 63226786

IUPACN-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCCC(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2O2S/c1-2-16-19(17,18)10-5-3-9(4-6-10)15-8-7-11(12,13)14/h3-6,15-16H,2,7-8H2,1H3
InChIKeyUBZWAFWOTUHJQD-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.35
Rot. Bonds6

About N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide

N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide (PubChem CID 63226786) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide
PubChem CID63226786
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC NameN-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCCC(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2O2S/c1-2-16-19(17,18)10-5-3-9(4-6-10)15-8-7-11(12,13)14/h3-6,15-16H,2,7-8H2,1H3
InChIKeyUBZWAFWOTUHJQD-UHFFFAOYSA-N
XLogP2.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 43591283
4-(trifluoromethylsulfonyl)-N-(3,3,3-trifluoropropyl)aniline
CID 63226683
N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide
CID 107318094
4-(2-cyclohexylethylamino)-N-ethylbenzenesulfonamide
CID 60920186
4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 43453969
4-[4-(ethylsulfamoyl)anilino]butanamide
CID 60864144
N-ethyl-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzenesulfonamide
CID 106144652
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
N-ethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60904045
N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide
CID 62147451
4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
CID 2230301

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide?
The IUPAC name of N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide (CID 63226786) is N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide is CCNS(=O)(=O)c1ccc(NCCC(F)(F)F)cc1.
What is the InChIKey of N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide?
The InChIKey is UBZWAFWOTUHJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-2-16-19(17,18)10-5-3-9(4-6-10)15-8-7-11(12,13)14/h3-6,15-16H,2,7-8H2,1H3.
What are the key properties of N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide?
N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide has a molecular weight of 296.31 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide is sourced from PubChem (CID 63226786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).