2,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]thiophene-3-sulfonamide

C11H7Cl3FNO2S2 — CID 3768405

IUPAC2,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]thiophene-3-sulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H7Cl3FNO2S2/c12-8-3-7(15)2-1-6(8)5-16-20(17,18)9-4-10(13)19-11(9)14/h1-4,16H,5H2
InChIKeySVJXHWXFXBSOCJ-UHFFFAOYSA-N
MW374.67 g/mol
LogP4.33
Rot. Bonds4

About 2,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]thiophene-3-sulfonamide

2,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]thiophene-3-sulfonamide (PubChem CID 3768405) has the molecular formula C11H7Cl3FNO2S2 and a molecular weight of 374.67 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]thiophene-3-sulfonamide
PubChem CID3768405
Molecular FormulaC11H7Cl3FNO2S2
Molecular Weight374.67 g/mol
Exact Mass372.90
IUPAC Name2,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]thiophene-3-sulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H7Cl3FNO2S2/c12-8-3-7(15)2-1-6(8)5-16-20(17,18)9-4-10(13)19-11(9)14/h1-4,16H,5H2
InChIKeySVJXHWXFXBSOCJ-UHFFFAOYSA-N
XLogP4.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.67
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]thiophene-3-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 3835603
3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3338012
N-benzyl-2,5-dichlorothiophene-3-sulfonamide
CID 39791947
2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide
CID 5157003
5-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 3338013
2,5-dichloro-N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-sulfonamide
CID 107234016
N-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 3829600
2,5-dichloro-N-[(3,5-dichlorophenyl)methyl]thiophene-3-sulfonamide
CID 3871882
N-[(2-chloro-4-fluorophenyl)methyl]isoquinoline-5-sulfonamide
CID 25042474
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
N-[(2-bromophenyl)methyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3673714
2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]thiophene-3-sulfonamide (CID 3768405) is 2,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]thiophene-3-sulfonamide is O=S(=O)(NCc1ccc(F)cc1Cl)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]thiophene-3-sulfonamide?
The InChIKey is SVJXHWXFXBSOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3FNO2S2/c12-8-3-7(15)2-1-6(8)5-16-20(17,18)9-4-10(13)19-11(9)14/h1-4,16H,5H2.
What are the key properties of 2,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]thiophene-3-sulfonamide?
2,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]thiophene-3-sulfonamide has a molecular weight of 374.67 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 3768405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).