N-[2-(2,4-difluorophenyl)sulfanyl-4-(1-hydroxy-2-phenylethyl)phenyl]methanesulfonamide

C21H19F2NO3S2 — CID 10252418

IUPACN-[2-(2,4-difluorophenyl)sulfanyl-4-(1-hydroxy-2-phenylethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(O)Cc2ccccc2)cc1Sc1ccc(F)cc1F
InChIInChI=1S/C21H19F2NO3S2/c1-29(26,27)24-18-9-7-15(19(25)11-14-5-3-2-4-6-14)12-21(18)28-20-10-8-16(22)13-17(20)23/h2-10,12-13,19,24-25H,11H2,1H3
InChIKeyDLAMJFKCEPDJMY-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.76
Rot. Bonds7

About N-[2-(2,4-difluorophenyl)sulfanyl-4-(1-hydroxy-2-phenylethyl)phenyl]methanesulfonamide

N-[2-(2,4-difluorophenyl)sulfanyl-4-(1-hydroxy-2-phenylethyl)phenyl]methanesulfonamide (PubChem CID 10252418) has the molecular formula C21H19F2NO3S2 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)sulfanyl-4-(1-hydroxy-2-phenylethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)sulfanyl-4-(1-hydroxy-2-phenylethyl)phenyl]methanesulfonamide
PubChem CID10252418
Molecular FormulaC21H19F2NO3S2
Molecular Weight435.52 g/mol
Exact Mass435.08
IUPAC NameN-[2-(2,4-difluorophenyl)sulfanyl-4-(1-hydroxy-2-phenylethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(O)Cc2ccccc2)cc1Sc1ccc(F)cc1F
InChIInChI=1S/C21H19F2NO3S2/c1-29(26,27)24-18-9-7-15(19(25)11-14-5-3-2-4-6-14)12-21(18)28-20-10-8-16(22)13-17(20)23/h2-10,12-13,19,24-25H,11H2,1H3
InChIKeyDLAMJFKCEPDJMY-UHFFFAOYSA-N
XLogP4.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)sulfanyl-4-(1-hydroxy-2-phenylethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)sulfanyl-4-(1-hydroxy-2-phenylethyl)phenyl]methanesulfonamide (CID 10252418) is N-[2-(2,4-difluorophenyl)sulfanyl-4-(1-hydroxy-2-phenylethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)sulfanyl-4-(1-hydroxy-2-phenylethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)sulfanyl-4-(1-hydroxy-2-phenylethyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(O)Cc2ccccc2)cc1Sc1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenyl)sulfanyl-4-(1-hydroxy-2-phenylethyl)phenyl]methanesulfonamide?
The InChIKey is DLAMJFKCEPDJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO3S2/c1-29(26,27)24-18-9-7-15(19(25)11-14-5-3-2-4-6-14)12-21(18)28-20-10-8-16(22)13-17(20)23/h2-10,12-13,19,24-25H,11H2,1H3.
What are the key properties of N-[2-(2,4-difluorophenyl)sulfanyl-4-(1-hydroxy-2-phenylethyl)phenyl]methanesulfonamide?
N-[2-(2,4-difluorophenyl)sulfanyl-4-(1-hydroxy-2-phenylethyl)phenyl]methanesulfonamide has a molecular weight of 435.52 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)sulfanyl-4-(1-hydroxy-2-phenylethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 10252418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).