2,5-dichloro-N-[(3,5-dichlorophenyl)methyl]thiophene-3-sulfonamide

C11H7Cl4NO2S2 — CID 3871882

IUPAC2,5-dichloro-N-[(3,5-dichlorophenyl)methyl]thiophene-3-sulfonamide
SMILESO=S(=O)(NCc1cc(Cl)cc(Cl)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H7Cl4NO2S2/c12-7-1-6(2-8(13)3-7)5-16-20(17,18)9-4-10(14)19-11(9)15/h1-4,16H,5H2
InChIKeyFPDXSJDGQKHHEK-UHFFFAOYSA-N
MW391.13 g/mol
LogP4.84
Rot. Bonds4

About 2,5-dichloro-N-[(3,5-dichlorophenyl)methyl]thiophene-3-sulfonamide

2,5-dichloro-N-[(3,5-dichlorophenyl)methyl]thiophene-3-sulfonamide (PubChem CID 3871882) has the molecular formula C11H7Cl4NO2S2 and a molecular weight of 391.13 g/mol. Its IUPAC name is 2,5-dichloro-N-[(3,5-dichlorophenyl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(3,5-dichlorophenyl)methyl]thiophene-3-sulfonamide
PubChem CID3871882
Molecular FormulaC11H7Cl4NO2S2
Molecular Weight391.13 g/mol
Exact Mass388.87
IUPAC Name2,5-dichloro-N-[(3,5-dichlorophenyl)methyl]thiophene-3-sulfonamide
SMILESO=S(=O)(NCc1cc(Cl)cc(Cl)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H7Cl4NO2S2/c12-7-1-6(2-8(13)3-7)5-16-20(17,18)9-4-10(14)19-11(9)15/h1-4,16H,5H2
InChIKeyFPDXSJDGQKHHEK-UHFFFAOYSA-N
XLogP4.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.13
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2,5-dichlorothiophene-3-sulfonamide
CID 39791947
2,5-dichloro-N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-sulfonamide
CID 107234016
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide
CID 114504676
N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167116
2,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]thiophene-3-sulfonamide
CID 3768405
N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide
CID 114296020
N-[[4-(aminomethyl)cyclohexyl]methyl]-2,5-dichlorothiophene-3-sulfonamide
CID 71213402
2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide
CID 61132382
2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide
CID 107319312
2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide
CID 65036898
N-[[1-(bromomethyl)cyclopentyl]methyl]-2,5-dichlorothiophene-3-sulfonamide
CID 113295060

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(3,5-dichlorophenyl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-[(3,5-dichlorophenyl)methyl]thiophene-3-sulfonamide (CID 3871882) is 2,5-dichloro-N-[(3,5-dichlorophenyl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(3,5-dichlorophenyl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(3,5-dichlorophenyl)methyl]thiophene-3-sulfonamide is O=S(=O)(NCc1cc(Cl)cc(Cl)c1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(3,5-dichlorophenyl)methyl]thiophene-3-sulfonamide?
The InChIKey is FPDXSJDGQKHHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl4NO2S2/c12-7-1-6(2-8(13)3-7)5-16-20(17,18)9-4-10(14)19-11(9)15/h1-4,16H,5H2.
What are the key properties of 2,5-dichloro-N-[(3,5-dichlorophenyl)methyl]thiophene-3-sulfonamide?
2,5-dichloro-N-[(3,5-dichlorophenyl)methyl]thiophene-3-sulfonamide has a molecular weight of 391.13 g/mol, XLogP of 4.84, 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-[(3,5-dichlorophenyl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 3871882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).