3,4-difluoro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide

C16H13F2NO4S2 — CID 121133529

IUPAC3,4-difluoro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(C(O)c2ccco2)s1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H13F2NO4S2/c17-12-5-4-11(8-13(12)18)25(21,22)19-9-10-3-6-15(24-10)16(20)14-2-1-7-23-14/h1-8,16,19-20H,9H2
InChIKeyQHPSCBVFGMGGHT-UHFFFAOYSA-N
MW385.41 g/mol
LogP3.18
Rot. Bonds6

About 3,4-difluoro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide

3,4-difluoro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide (PubChem CID 121133529) has the molecular formula C16H13F2NO4S2 and a molecular weight of 385.41 g/mol. Its IUPAC name is 3,4-difluoro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide
PubChem CID121133529
Molecular FormulaC16H13F2NO4S2
Molecular Weight385.41 g/mol
Exact Mass385.03
IUPAC Name3,4-difluoro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(C(O)c2ccco2)s1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H13F2NO4S2/c17-12-5-4-11(8-13(12)18)25(21,22)19-9-10-3-6-15(24-10)16(20)14-2-1-7-23-14/h1-8,16,19-20H,9H2
InChIKeyQHPSCBVFGMGGHT-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-difluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 72717773
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 121133566
4-fluoro-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
CID 99873374
5-chloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
CID 121133548
2-bromo-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 121133577
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 121133584
4-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 73167916
2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 121133443
3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817807
4-tert-butyl-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 90583643
1-benzyl-3-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
CID 99873436
3-acetyl-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 73167918

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide (CID 121133529) is 3,4-difluoro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(C(O)c2ccco2)s1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
The InChIKey is QHPSCBVFGMGGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO4S2/c17-12-5-4-11(8-13(12)18)25(21,22)19-9-10-3-6-15(24-10)16(20)14-2-1-7-23-14/h1-8,16,19-20H,9H2.
What are the key properties of 3,4-difluoro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
3,4-difluoro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide has a molecular weight of 385.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 121133529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).