4-amino-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide

C10H14F3N3O3S — CID 107478271

IUPAC4-amino-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1N(CCO)CC(F)(F)F
InChIInChI=1S/C10H14F3N3O3S/c11-10(12,13)6-16(3-4-17)9-5-7(20(15,18)19)1-2-8(9)14/h1-2,5,17H,3-4,6,14H2,(H2,15,18,19)
InChIKeyBHBNTRZUKWFHBS-UHFFFAOYSA-N
MW313.30 g/mol
LogP0.28
Rot. Bonds5

About 4-amino-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide

4-amino-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide (PubChem CID 107478271) has the molecular formula C10H14F3N3O3S and a molecular weight of 313.30 g/mol. Its IUPAC name is 4-amino-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
PubChem CID107478271
Molecular FormulaC10H14F3N3O3S
Molecular Weight313.30 g/mol
Exact Mass313.07
IUPAC Name4-amino-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1N(CCO)CC(F)(F)F
InChIInChI=1S/C10H14F3N3O3S/c11-10(12,13)6-16(3-4-17)9-5-7(20(15,18)19)1-2-8(9)14/h1-2,5,17H,3-4,6,14H2,(H2,15,18,19)
InChIKeyBHBNTRZUKWFHBS-UHFFFAOYSA-N
XLogP0.28
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-5-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478362
2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 112751860
2-[2-amino-4-nitro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478310
4-amino-3-[cyclohexyl(2-hydroxyethyl)amino]benzenesulfonamide
CID 82900365
3-amino-4-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 115328994
2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478278
2-[(5-amino-1H-indazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107491314
3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzenesulfonamide
CID 54995094
4-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid
CID 82785995
3-bromo-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzaldehyde
CID 114062253
2-[2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)anilino]ethanol
CID 107478462
2-[4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107481543

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide?
The IUPAC name of 4-amino-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide (CID 107478271) is 4-amino-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1N(CCO)CC(F)(F)F.
What is the InChIKey of 4-amino-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide?
The InChIKey is BHBNTRZUKWFHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O3S/c11-10(12,13)6-16(3-4-17)9-5-7(20(15,18)19)1-2-8(9)14/h1-2,5,17H,3-4,6,14H2,(H2,15,18,19).
What are the key properties of 4-amino-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide?
4-amino-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide has a molecular weight of 313.30 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide is sourced from PubChem (CID 107478271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).