2,6-difluoro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzenesulfonamide

C16H13F2NO4S2 — CID 124891054

IUPAC2,6-difluoro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@](O)(c1ccsc1)c1ccco1)c1c(F)cccc1F
InChIInChI=1S/C16H13F2NO4S2/c17-12-3-1-4-13(18)15(12)25(21,22)19-10-16(20,11-6-8-24-9-11)14-5-2-7-23-14/h1-9,19-20H,10H2/t16-/m1/s1
InChIKeyADLODNXJHIENLC-MRXNPFEDSA-N
MW385.41 g/mol
LogP2.83
Rot. Bonds6

About 2,6-difluoro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzenesulfonamide

2,6-difluoro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzenesulfonamide (PubChem CID 124891054) has the molecular formula C16H13F2NO4S2 and a molecular weight of 385.41 g/mol. Its IUPAC name is 2,6-difluoro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzenesulfonamide
PubChem CID124891054
Molecular FormulaC16H13F2NO4S2
Molecular Weight385.41 g/mol
Exact Mass385.03
IUPAC Name2,6-difluoro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@](O)(c1ccsc1)c1ccco1)c1c(F)cccc1F
InChIInChI=1S/C16H13F2NO4S2/c17-12-3-1-4-13(18)15(12)25(21,22)19-10-16(20,11-6-8-24-9-11)14-5-2-7-23-14/h1-9,19-20H,10H2/t16-/m1/s1
InChIKeyADLODNXJHIENLC-MRXNPFEDSA-N
XLogP2.83
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,6-difluoro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzenesulfonamide 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-fluoro-N-[2-(furan-2-yl)-2-(thiophene-2-sulfonyl)ethyl]-3-(trifluoromethyl)benzene-1-sulfonamide
CID 16032953
N-(2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 71781537
N-(2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl)-4-fluoro-2-methylbenzenesulfonamide
CID 71781523
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 71781524
N-(2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl)-2,5-difluorobenzenesulfonamide
CID 71781526
N-(2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl)-4-ethoxy-3-fluorobenzenesulfonamide
CID 71781536
N-(2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71781538
1-(2,5-difluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]methanesulfonamide
CID 71796929
5-fluoro-N-((5-(furan-2-yl(hydroxy)methyl)thiophen-2-yl)methyl)-2-methoxybenzenesulfonamide
CID 76147411
4-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 40775209
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 40775210
4-fluoro-N-((5-(furan-2-yl(hydroxy)methyl)thiophen-2-yl)methyl)-2-methylbenzenesulfonamide
CID 76147406

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzenesulfonamide (CID 124891054) is 2,6-difluoro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzenesulfonamide is O=S(=O)(NC[C@@](O)(c1ccsc1)c1ccco1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzenesulfonamide?
The InChIKey is ADLODNXJHIENLC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H13F2NO4S2/c17-12-3-1-4-13(18)15(12)25(21,22)19-10-16(20,11-6-8-24-9-11)14-5-2-7-23-14/h1-9,19-20H,10H2/t16-/m1/s1.
What are the key properties of 2,6-difluoro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzenesulfonamide?
2,6-difluoro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzenesulfonamide has a molecular weight of 385.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 124891054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).