5-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide

C13H11ClF3NO3S2 — CID 71781999

IUPAC5-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(O)(c1ccccc1)C(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClF3NO3S2/c14-10-6-7-11(22-10)23(20,21)18-8-12(19,13(15,16)17)9-4-2-1-3-5-9/h1-7,18-19H,8H2
InChIKeyRXBABPXTJAXCKQ-UHFFFAOYSA-N
MW385.82 g/mol
LogP3.13
Rot. Bonds5

About 5-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide

5-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide (PubChem CID 71781999) has the molecular formula C13H11ClF3NO3S2 and a molecular weight of 385.82 g/mol. Its IUPAC name is 5-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
PubChem CID71781999
Molecular FormulaC13H11ClF3NO3S2
Molecular Weight385.82 g/mol
Exact Mass384.98
IUPAC Name5-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(O)(c1ccccc1)C(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClF3NO3S2/c14-10-6-7-11(22-10)23(20,21)18-8-12(19,13(15,16)17)9-4-2-1-3-5-9/h1-7,18-19H,8H2
InChIKeyRXBABPXTJAXCKQ-UHFFFAOYSA-N
XLogP3.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.82
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide 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

2,5-dichloro-N-(2-hydroxy-2-phenylethyl)-3-thiophenesulfonamide
CID 2812772
3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 56764231
N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-5-methylthiophene-2-sulfonamide
CID 56765475
5-Chloro-n-((2s,3r)-3-(3,5-difluorophenyl)-4,4,4-trifluoro-1-hydroxybutan-2-yl)thiophene-2-sulfonamide
CID 57552320
3-chloro-N-(2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl)-4-fluorobenzenesulfonamide
CID 71781754
2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 71781997
5-Chloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-sulfonamide
CID 71810668
(S)-1,1,1-trifluoro-2-phenyl-3-(2-thienylsulfonylamino)-2-propanol
CID 95376529
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]thiophene-2-sulfonamide
CID 95379477
5-chloro-N-[(2S,3R)-4,4,4-trifluoro-3-(3-fluorophenyl)-1-hydroxybutan-2-yl]thiophene-2-sulfonamide
CID 25138322
5-Chloro-n-[3,3,3-trifluoro-1-(hydroxymethyl)-2-phenylpropyl]thiophene-2-sulfonamide
CID 25204808
5-chloro-N-[(2R,3R)-4,4,4-trifluoro-1-hydroxy-3-phenylbutan-2-yl]thiophene-2-sulfonamide
CID 25204809

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide (CID 71781999) is 5-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide is O=S(=O)(NCC(O)(c1ccccc1)C(F)(F)F)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide?
The InChIKey is RXBABPXTJAXCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3NO3S2/c14-10-6-7-11(22-10)23(20,21)18-8-12(19,13(15,16)17)9-4-2-1-3-5-9/h1-7,18-19H,8H2.
What are the key properties of 5-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide?
5-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide has a molecular weight of 385.82 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 71781999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).