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

C24H17F2NO2S3 — CID 66906702

IUPACN-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)-1-benzothiophene-2-sulfonamide
SMILESCc1c(N(Cc2ccc(F)c(F)c2)S(=O)(=O)c2cc3ccccc3s2)sc2ccccc12
InChIInChI=1S/C24H17F2NO2S3/c1-15-18-7-3-5-9-22(18)31-24(15)27(14-16-10-11-19(25)20(26)12-16)32(28,29)23-13-17-6-2-4-8-21(17)30-23/h2-13H,14H2,1H3
InChIKeyGWQUDPDSHKZZNG-UHFFFAOYSA-N
MW485.60 g/mol
LogP7.10
Rot. Bonds5

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

N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)-1-benzothiophene-2-sulfonamide (PubChem CID 66906702) has the molecular formula C24H17F2NO2S3 and a molecular weight of 485.60 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)-1-benzothiophene-2-sulfonamide
PubChem CID66906702
Molecular FormulaC24H17F2NO2S3
Molecular Weight485.60 g/mol
Exact Mass485.04
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)-1-benzothiophene-2-sulfonamide
SMILESCc1c(N(Cc2ccc(F)c(F)c2)S(=O)(=O)c2cc3ccccc3s2)sc2ccccc12
InChIInChI=1S/C24H17F2NO2S3/c1-15-18-7-3-5-9-22(18)31-24(15)27(14-16-10-11-19(25)20(26)12-16)32(28,29)23-13-17-6-2-4-8-21(17)30-23/h2-13H,14H2,1H3
InChIKeyGWQUDPDSHKZZNG-UHFFFAOYSA-N
XLogP7.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.60
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)-1-benzothiophene-2-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 N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)-1-benzothiophene-2-sulfonamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)-1-benzothiophene-2-sulfonamide (CID 66906702) is N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)-1-benzothiophene-2-sulfonamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)-1-benzothiophene-2-sulfonamide is Cc1c(N(Cc2ccc(F)c(F)c2)S(=O)(=O)c2cc3ccccc3s2)sc2ccccc12.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)-1-benzothiophene-2-sulfonamide?
The InChIKey is GWQUDPDSHKZZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2NO2S3/c1-15-18-7-3-5-9-22(18)31-24(15)27(14-16-10-11-19(25)20(26)12-16)32(28,29)23-13-17-6-2-4-8-21(17)30-23/h2-13H,14H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)-1-benzothiophene-2-sulfonamide?
N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)-1-benzothiophene-2-sulfonamide has a molecular weight of 485.60 g/mol, XLogP of 7.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 66906702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).