2,4,5-trifluoro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzenesulfonamide;hydrochloride

C11H14ClF3N2O3S — CID 154907563

IUPAC2,4,5-trifluoro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(N[C@@H]1CCNC[C@H]1O)c1cc(F)c(F)cc1F
InChIInChI=1S/C11H13F3N2O3S.ClH/c12-6-3-8(14)11(4-7(6)13)20(18,19)16-9-1-2-15-5-10(9)17;/h3-4,9-10,15-17H,1-2,5H2;1H/t9-,10-;/m1./s1
InChIKeyCBYCEHPUSXAKBO-DHTOPLTISA-N
MW346.76 g/mol
LogP0.53
Rot. Bonds3

About 2,4,5-trifluoro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzenesulfonamide;hydrochloride

2,4,5-trifluoro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzenesulfonamide;hydrochloride (PubChem CID 154907563) has the molecular formula C11H14ClF3N2O3S and a molecular weight of 346.76 g/mol. Its IUPAC name is 2,4,5-trifluoro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2,4,5-trifluoro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzenesulfonamide;hydrochloride
PubChem CID154907563
Molecular FormulaC11H14ClF3N2O3S
Molecular Weight346.76 g/mol
Exact Mass346.04
IUPAC Name2,4,5-trifluoro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(N[C@@H]1CCNC[C@H]1O)c1cc(F)c(F)cc1F
InChIInChI=1S/C11H13F3N2O3S.ClH/c12-6-3-8(14)11(4-7(6)13)20(18,19)16-9-1-2-15-5-10(9)17;/h3-4,9-10,15-17H,1-2,5H2;1H/t9-,10-;/m1./s1
InChIKeyCBYCEHPUSXAKBO-DHTOPLTISA-N
XLogP0.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.76
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,4,5-trifluoro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725020
5-bromo-2,4-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 166174754
2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725186
2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 119964177
5-amino-2,4-difluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213623
5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967062
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725034
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2-fluorobenzenesulfonamide;hydrochloride
CID 120724373
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-methoxybenzenesulfonamide
CID 122564179
2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723761
2-fluoro-4,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686087
4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 116527714

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2,4,5-trifluoro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzenesulfonamide;hydrochloride (CID 154907563) is 2,4,5-trifluoro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2,4,5-trifluoro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2,4,5-trifluoro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzenesulfonamide;hydrochloride is Cl.O=S(=O)(N[C@@H]1CCNC[C@H]1O)c1cc(F)c(F)cc1F.
What is the InChIKey of 2,4,5-trifluoro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzenesulfonamide;hydrochloride?
The InChIKey is CBYCEHPUSXAKBO-DHTOPLTISA-N. The full InChI is InChI=1S/C11H13F3N2O3S.ClH/c12-6-3-8(14)11(4-7(6)13)20(18,19)16-9-1-2-15-5-10(9)17;/h3-4,9-10,15-17H,1-2,5H2;1H/t9-,10-;/m1./s1.
What are the key properties of 2,4,5-trifluoro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzenesulfonamide;hydrochloride?
2,4,5-trifluoro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzenesulfonamide;hydrochloride has a molecular weight of 346.76 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 154907563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).