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

C18H17F2NO2S2 — CID 66906917

IUPACN-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(Cc1ccc(F)c(F)c1)c1cc2ccccc2s1
InChIInChI=1S/C18H17F2NO2S2/c1-2-9-25(22,23)21(12-13-7-8-15(19)16(20)10-13)18-11-14-5-3-4-6-17(14)24-18/h3-8,10-11H,2,9,12H2,1H3
InChIKeyDSYDYBPTVPRQFP-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.93
Rot. Bonds6

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

N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]propane-1-sulfonamide (PubChem CID 66906917) has the molecular formula C18H17F2NO2S2 and a molecular weight of 381.47 g/mol. Its IUPAC name is N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]propane-1-sulfonamide
PubChem CID66906917
Molecular FormulaC18H17F2NO2S2
Molecular Weight381.47 g/mol
Exact Mass381.07
IUPAC NameN-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(Cc1ccc(F)c(F)c1)c1cc2ccccc2s1
InChIInChI=1S/C18H17F2NO2S2/c1-2-9-25(22,23)21(12-13-7-8-15(19)16(20)10-13)18-11-14-5-3-4-6-17(14)24-18/h3-8,10-11H,2,9,12H2,1H3
InChIKeyDSYDYBPTVPRQFP-UHFFFAOYSA-N
XLogP4.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.93
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]propane-1-sulfonamide?
The IUPAC name of N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]propane-1-sulfonamide (CID 66906917) is N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)N(Cc1ccc(F)c(F)c1)c1cc2ccccc2s1.
What is the InChIKey of N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]propane-1-sulfonamide?
The InChIKey is DSYDYBPTVPRQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO2S2/c1-2-9-25(22,23)21(12-13-7-8-15(19)16(20)10-13)18-11-14-5-3-4-6-17(14)24-18/h3-8,10-11H,2,9,12H2,1H3.
What are the key properties of N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]propane-1-sulfonamide?
N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]propane-1-sulfonamide has a molecular weight of 381.47 g/mol, XLogP of 4.93, 6 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]propane-1-sulfonamide is sourced from PubChem (CID 66906917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).