3,4-difluoro-N-[(R)-phenyl(pyridin-4-yl)methyl]benzenesulfonamide

C18H14F2N2O2S — CID 40738951

IUPAC3,4-difluoro-N-[(R)-phenyl(pyridin-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H](c1ccccc1)c1ccncc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H14F2N2O2S/c19-16-7-6-15(12-17(16)20)25(23,24)22-18(13-4-2-1-3-5-13)14-8-10-21-11-9-14/h1-12,18,22H/t18-/m1/s1
InChIKeyXBWOVSFBYCCDJU-GOSISDBHSA-N
MW360.39 g/mol
LogP3.43
Rot. Bonds5

About 3,4-difluoro-N-[(R)-phenyl(pyridin-4-yl)methyl]benzenesulfonamide

3,4-difluoro-N-[(R)-phenyl(pyridin-4-yl)methyl]benzenesulfonamide (PubChem CID 40738951) has the molecular formula C18H14F2N2O2S and a molecular weight of 360.39 g/mol. Its IUPAC name is 3,4-difluoro-N-[(R)-phenyl(pyridin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(R)-phenyl(pyridin-4-yl)methyl]benzenesulfonamide
PubChem CID40738951
Molecular FormulaC18H14F2N2O2S
Molecular Weight360.39 g/mol
Exact Mass360.07
IUPAC Name3,4-difluoro-N-[(R)-phenyl(pyridin-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H](c1ccccc1)c1ccncc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H14F2N2O2S/c19-16-7-6-15(12-17(16)20)25(23,24)22-18(13-4-2-1-3-5-13)14-8-10-21-11-9-14/h1-12,18,22H/t18-/m1/s1
InChIKeyXBWOVSFBYCCDJU-GOSISDBHSA-N
XLogP3.43
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide
CID 112771130
N-benzhydryl-3-fluorobenzenesulfonamide
CID 3697866
3,4-difluoro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
CID 17499037
3,4-diamino-N-benzhydrylbenzenesulfonamide
CID 142157498
N-benzhydryl-4-phenylbenzenesulfonamide
CID 3504321
N-(3,3-diphenylpropyl)-3,4-difluorobenzenesulfonamide
CID 3464514
N-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 134952581
N-but-3-yn-2-yl-3,4-difluorobenzenesulfonamide
CID 114419126
3-(3,4-difluorophenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 86929443
4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 103697593
5-bromo-2-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide
CID 112771144
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-2-phenylacetamide
CID 51291589

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(R)-phenyl(pyridin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[(R)-phenyl(pyridin-4-yl)methyl]benzenesulfonamide (CID 40738951) is 3,4-difluoro-N-[(R)-phenyl(pyridin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[(R)-phenyl(pyridin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[(R)-phenyl(pyridin-4-yl)methyl]benzenesulfonamide is O=S(=O)(N[C@H](c1ccccc1)c1ccncc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[(R)-phenyl(pyridin-4-yl)methyl]benzenesulfonamide?
The InChIKey is XBWOVSFBYCCDJU-GOSISDBHSA-N. The full InChI is InChI=1S/C18H14F2N2O2S/c19-16-7-6-15(12-17(16)20)25(23,24)22-18(13-4-2-1-3-5-13)14-8-10-21-11-9-14/h1-12,18,22H/t18-/m1/s1.
What are the key properties of 3,4-difluoro-N-[(R)-phenyl(pyridin-4-yl)methyl]benzenesulfonamide?
3,4-difluoro-N-[(R)-phenyl(pyridin-4-yl)methyl]benzenesulfonamide has a molecular weight of 360.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(R)-phenyl(pyridin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 40738951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).