2,5-dichloro-N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-sulfonamide

C12H10Cl3NO2S2 — CID 107234016

IUPAC2,5-dichloro-N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-sulfonamide
SMILESO=S(=O)(NCc1ccc(CCl)cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H10Cl3NO2S2/c13-6-8-1-3-9(4-2-8)7-16-20(17,18)10-5-11(14)19-12(10)15/h1-5,16H,6-7H2
InChIKeyRAKZDQHZNJFGSW-UHFFFAOYSA-N
MW370.71 g/mol
LogP4.27
Rot. Bonds5

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

2,5-dichloro-N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-sulfonamide (PubChem CID 107234016) has the molecular formula C12H10Cl3NO2S2 and a molecular weight of 370.71 g/mol. Its IUPAC name is 2,5-dichloro-N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-sulfonamide
PubChem CID107234016
Molecular FormulaC12H10Cl3NO2S2
Molecular Weight370.71 g/mol
Exact Mass368.92
IUPAC Name2,5-dichloro-N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-sulfonamide
SMILESO=S(=O)(NCc1ccc(CCl)cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H10Cl3NO2S2/c13-6-8-1-3-9(4-2-8)7-16-20(17,18)10-5-11(14)19-12(10)15/h1-5,16H,6-7H2
InChIKeyRAKZDQHZNJFGSW-UHFFFAOYSA-N
XLogP4.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.71
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2,5-dichlorothiophene-3-sulfonamide
CID 39791947
2,5-dichloro-N-[(3,5-dichlorophenyl)methyl]thiophene-3-sulfonamide
CID 3871882
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide
CID 65030855
2,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]thiophene-3-sulfonamide
CID 3768405
2,5-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-sulfonamide
CID 39792284
2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide
CID 65036898
N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167116
2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide
CID 114504676
2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide
CID 5157003
N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide
CID 114296020
N-(1H-benzimidazol-2-ylmethyl)-2,5-dichlorothiophene-3-sulfonamide
CID 78991619

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-sulfonamide (CID 107234016) is 2,5-dichloro-N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-sulfonamide is O=S(=O)(NCc1ccc(CCl)cc1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-sulfonamide?
The InChIKey is RAKZDQHZNJFGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3NO2S2/c13-6-8-1-3-9(4-2-8)7-16-20(17,18)10-5-11(14)19-12(10)15/h1-5,16H,6-7H2.
What are the key properties of 2,5-dichloro-N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-sulfonamide?
2,5-dichloro-N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-sulfonamide has a molecular weight of 370.71 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 107234016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).