N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide

C18H15F2NO3S2 — CID 24525651

IUPACN-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1cccs1
InChIInChI=1S/C18H15F2NO3S2/c19-18(20)24-16-9-8-15(21-26(22,23)17-7-4-10-25-17)12-14(16)11-13-5-2-1-3-6-13/h1-10,12,18,21H,11H2
InChIKeyFYJQNUWHIRRZHQ-UHFFFAOYSA-N
MW395.45 g/mol
LogP4.74
Rot. Bonds7

About N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide

N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide (PubChem CID 24525651) has the molecular formula C18H15F2NO3S2 and a molecular weight of 395.45 g/mol. Its IUPAC name is N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
PubChem CID24525651
Molecular FormulaC18H15F2NO3S2
Molecular Weight395.45 g/mol
Exact Mass395.05
IUPAC NameN-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1cccs1
InChIInChI=1S/C18H15F2NO3S2/c19-18(20)24-16-9-8-15(21-26(22,23)17-7-4-10-25-17)12-14(16)11-13-5-2-1-3-6-13/h1-10,12,18,21H,11H2
InChIKeyFYJQNUWHIRRZHQ-UHFFFAOYSA-N
XLogP4.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide (CID 24525651) is N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1cccs1.
What is the InChIKey of N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide?
The InChIKey is FYJQNUWHIRRZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO3S2/c19-18(20)24-16-9-8-15(21-26(22,23)17-7-4-10-25-17)12-14(16)11-13-5-2-1-3-6-13/h1-10,12,18,21H,11H2.
What are the key properties of N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide?
N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide has a molecular weight of 395.45 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 24525651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).