N-[4-[2-(3,4-difluorophenyl)sulfanylpropanoyl]phenyl]methanesulfonamide

C16H15F2NO3S2 — CID 18199605

IUPACN-[4-[2-(3,4-difluorophenyl)sulfanylpropanoyl]phenyl]methanesulfonamide
SMILESCC(Sc1ccc(F)c(F)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C16H15F2NO3S2/c1-10(23-13-7-8-14(17)15(18)9-13)16(20)11-3-5-12(6-4-11)19-24(2,21)22/h3-10,19H,1-2H3
InChIKeyOMVVZZAPWPBUEN-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.70
Rot. Bonds6

About N-[4-[2-(3,4-difluorophenyl)sulfanylpropanoyl]phenyl]methanesulfonamide

N-[4-[2-(3,4-difluorophenyl)sulfanylpropanoyl]phenyl]methanesulfonamide (PubChem CID 18199605) has the molecular formula C16H15F2NO3S2 and a molecular weight of 371.43 g/mol. Its IUPAC name is N-[4-[2-(3,4-difluorophenyl)sulfanylpropanoyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(3,4-difluorophenyl)sulfanylpropanoyl]phenyl]methanesulfonamide
PubChem CID18199605
Molecular FormulaC16H15F2NO3S2
Molecular Weight371.43 g/mol
Exact Mass371.05
IUPAC NameN-[4-[2-(3,4-difluorophenyl)sulfanylpropanoyl]phenyl]methanesulfonamide
SMILESCC(Sc1ccc(F)c(F)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C16H15F2NO3S2/c1-10(23-13-7-8-14(17)15(18)9-13)16(20)11-3-5-12(6-4-11)19-24(2,21)22/h3-10,19H,1-2H3
InChIKeyOMVVZZAPWPBUEN-UHFFFAOYSA-N
XLogP3.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43224954
1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylpropan-1-one
CID 43218364
N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide
CID 1265569
N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 24500478
1-(3,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropan-1-one
CID 43218651
3,4-difluoro-N-[4-(methanesulfonamido)phenyl]-N-methylbenzamide
CID 113094625
(2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9055622
(2R)-2-(3,4-difluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 7737171
N-[4-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide
CID 46805926
N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]phenyl]methanesulfonamide
CID 43023545
N-[4-(4-methylsulfanylbenzoyl)phenyl]methanesulfonamide
CID 79212173
2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide
CID 47114263

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,4-difluorophenyl)sulfanylpropanoyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-(3,4-difluorophenyl)sulfanylpropanoyl]phenyl]methanesulfonamide (CID 18199605) is N-[4-[2-(3,4-difluorophenyl)sulfanylpropanoyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(3,4-difluorophenyl)sulfanylpropanoyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(3,4-difluorophenyl)sulfanylpropanoyl]phenyl]methanesulfonamide is CC(Sc1ccc(F)c(F)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[2-(3,4-difluorophenyl)sulfanylpropanoyl]phenyl]methanesulfonamide?
The InChIKey is OMVVZZAPWPBUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S2/c1-10(23-13-7-8-14(17)15(18)9-13)16(20)11-3-5-12(6-4-11)19-24(2,21)22/h3-10,19H,1-2H3.
What are the key properties of N-[4-[2-(3,4-difluorophenyl)sulfanylpropanoyl]phenyl]methanesulfonamide?
N-[4-[2-(3,4-difluorophenyl)sulfanylpropanoyl]phenyl]methanesulfonamide has a molecular weight of 371.43 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,4-difluorophenyl)sulfanylpropanoyl]phenyl]methanesulfonamide is sourced from PubChem (CID 18199605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).