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

C18H15F2NO3S2 — CID 72717773

IUPAC3,4-difluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(C(O)c2ccccc2)s1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H15F2NO3S2/c19-15-8-7-14(10-16(15)20)26(23,24)21-11-13-6-9-17(25-13)18(22)12-4-2-1-3-5-12/h1-10,18,21-22H,11H2
InChIKeyDBZYTTVAHUTVIT-UHFFFAOYSA-N
MW395.45 g/mol
LogP3.59
Rot. Bonds6

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

3,4-difluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide (PubChem CID 72717773) has the molecular formula C18H15F2NO3S2 and a molecular weight of 395.45 g/mol. Its IUPAC name is 3,4-difluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
PubChem CID72717773
Molecular FormulaC18H15F2NO3S2
Molecular Weight395.45 g/mol
Exact Mass395.05
IUPAC Name3,4-difluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(C(O)c2ccccc2)s1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H15F2NO3S2/c19-15-8-7-14(10-16(15)20)26(23,24)21-11-13-6-9-17(25-13)18(22)12-4-2-1-3-5-12/h1-10,18,21-22H,11H2
InChIKeyDBZYTTVAHUTVIT-UHFFFAOYSA-N
XLogP3.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 73167916
3,4-difluoro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 121133529
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methoxybenzenesulfonamide
CID 73167915
3-acetyl-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 73167918
4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
CID 121134240
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-propoxybenzenesulfonamide
CID 121134278
3,4-difluoro-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
CID 99981817
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]ethanesulfonamide
CID 121134216
2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 121133885
N-(3,3-diphenylpropyl)-3,4-difluorobenzenesulfonamide
CID 3464514
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 121133566
N-[(5-benzoylthiophen-2-yl)methyl]-3-chloro-4-fluorobenzenesulfonamide
CID 90613039

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide (CID 72717773) is 3,4-difluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(C(O)c2ccccc2)s1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
The InChIKey is DBZYTTVAHUTVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO3S2/c19-15-8-7-14(10-16(15)20)26(23,24)21-11-13-6-9-17(25-13)18(22)12-4-2-1-3-5-12/h1-10,18,21-22H,11H2.
What are the key properties of 3,4-difluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
3,4-difluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide has a molecular weight of 395.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 72717773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).