N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]methanesulfonamide

C16H13F2NO2S2 — CID 66907118

IUPACN-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc(F)c(F)c1)c1cc2ccccc2s1
InChIInChI=1S/C16H13F2NO2S2/c1-23(20,21)19(10-11-6-7-13(17)14(18)8-11)16-9-12-4-2-3-5-15(12)22-16/h2-9H,10H2,1H3
InChIKeyUFDGBINQRMWSRF-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.15
Rot. Bonds4

About N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]methanesulfonamide

N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]methanesulfonamide (PubChem CID 66907118) has the molecular formula C16H13F2NO2S2 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]methanesulfonamide
PubChem CID66907118
Molecular FormulaC16H13F2NO2S2
Molecular Weight353.42 g/mol
Exact Mass353.04
IUPAC NameN-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc(F)c(F)c1)c1cc2ccccc2s1
InChIInChI=1S/C16H13F2NO2S2/c1-23(20,21)19(10-11-6-7-13(17)14(18)8-11)16-9-12-4-2-3-5-15(12)22-16/h2-9H,10H2,1H3
InChIKeyUFDGBINQRMWSRF-UHFFFAOYSA-N
XLogP4.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]methanesulfonamide?
The IUPAC name of N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]methanesulfonamide (CID 66907118) is N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]methanesulfonamide?
The canonical SMILES for N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]methanesulfonamide is CS(=O)(=O)N(Cc1ccc(F)c(F)c1)c1cc2ccccc2s1.
What is the InChIKey of N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]methanesulfonamide?
The InChIKey is UFDGBINQRMWSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2S2/c1-23(20,21)19(10-11-6-7-13(17)14(18)8-11)16-9-12-4-2-3-5-15(12)22-16/h2-9H,10H2,1H3.
What are the key properties of N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]methanesulfonamide?
N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]methanesulfonamide has a molecular weight of 353.42 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 66907118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).