2-chloro-N-[2,5-difluoro-4-(2-fluoroethoxy)phenyl]-6,7-dihydro-1-benzothiophene-4-sulfonamide

C16H13ClF3NO3S2 — CID 174341024

IUPAC2-chloro-N-[2,5-difluoro-4-(2-fluoroethoxy)phenyl]-6,7-dihydro-1-benzothiophene-4-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(OCCF)cc1F)C1=CCCc2sc(Cl)cc21
InChIInChI=1S/C16H13ClF3NO3S2/c17-16-6-9-14(25-16)2-1-3-15(9)26(22,23)21-12-7-11(20)13(8-10(12)19)24-5-4-18/h3,6-8,21H,1-2,4-5H2
InChIKeyRVBXTSTYYDRQQS-UHFFFAOYSA-N
MW423.87 g/mol
LogP4.76
Rot. Bonds6

About 2-chloro-N-[2,5-difluoro-4-(2-fluoroethoxy)phenyl]-6,7-dihydro-1-benzothiophene-4-sulfonamide

2-chloro-N-[2,5-difluoro-4-(2-fluoroethoxy)phenyl]-6,7-dihydro-1-benzothiophene-4-sulfonamide (PubChem CID 174341024) has the molecular formula C16H13ClF3NO3S2 and a molecular weight of 423.87 g/mol. Its IUPAC name is 2-chloro-N-[2,5-difluoro-4-(2-fluoroethoxy)phenyl]-6,7-dihydro-1-benzothiophene-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2,5-difluoro-4-(2-fluoroethoxy)phenyl]-6,7-dihydro-1-benzothiophene-4-sulfonamide
PubChem CID174341024
Molecular FormulaC16H13ClF3NO3S2
Molecular Weight423.87 g/mol
Exact Mass423.00
IUPAC Name2-chloro-N-[2,5-difluoro-4-(2-fluoroethoxy)phenyl]-6,7-dihydro-1-benzothiophene-4-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(OCCF)cc1F)C1=CCCc2sc(Cl)cc21
InChIInChI=1S/C16H13ClF3NO3S2/c17-16-6-9-14(25-16)2-1-3-15(9)26(22,23)21-12-7-11(20)13(8-10(12)19)24-5-4-18/h3,6-8,21H,1-2,4-5H2
InChIKeyRVBXTSTYYDRQQS-UHFFFAOYSA-N
XLogP4.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.87
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[2,5-difluoro-4-(2-fluoroethoxy)phenyl]-6,7-dihydro-1-benzothiophene-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2,5-difluoro-4-(2-fluoroethoxy)phenyl]-6,7-dihydro-1-benzothiophene-4-sulfonamide?
The IUPAC name of 2-chloro-N-[2,5-difluoro-4-(2-fluoroethoxy)phenyl]-6,7-dihydro-1-benzothiophene-4-sulfonamide (CID 174341024) is 2-chloro-N-[2,5-difluoro-4-(2-fluoroethoxy)phenyl]-6,7-dihydro-1-benzothiophene-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-[2,5-difluoro-4-(2-fluoroethoxy)phenyl]-6,7-dihydro-1-benzothiophene-4-sulfonamide?
The canonical SMILES for 2-chloro-N-[2,5-difluoro-4-(2-fluoroethoxy)phenyl]-6,7-dihydro-1-benzothiophene-4-sulfonamide is O=S(=O)(Nc1cc(F)c(OCCF)cc1F)C1=CCCc2sc(Cl)cc21.
What is the InChIKey of 2-chloro-N-[2,5-difluoro-4-(2-fluoroethoxy)phenyl]-6,7-dihydro-1-benzothiophene-4-sulfonamide?
The InChIKey is RVBXTSTYYDRQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO3S2/c17-16-6-9-14(25-16)2-1-3-15(9)26(22,23)21-12-7-11(20)13(8-10(12)19)24-5-4-18/h3,6-8,21H,1-2,4-5H2.
What are the key properties of 2-chloro-N-[2,5-difluoro-4-(2-fluoroethoxy)phenyl]-6,7-dihydro-1-benzothiophene-4-sulfonamide?
2-chloro-N-[2,5-difluoro-4-(2-fluoroethoxy)phenyl]-6,7-dihydro-1-benzothiophene-4-sulfonamide has a molecular weight of 423.87 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2,5-difluoro-4-(2-fluoroethoxy)phenyl]-6,7-dihydro-1-benzothiophene-4-sulfonamide is sourced from PubChem (CID 174341024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).