N-benzyl-2,5-dichlorothiophene-3-sulfonamide

C11H9Cl2NO2S2 — CID 39791947

IUPACN-benzyl-2,5-dichlorothiophene-3-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H9Cl2NO2S2/c12-10-6-9(11(13)17-10)18(15,16)14-7-8-4-2-1-3-5-8/h1-6,14H,7H2
InChIKeyCUQRABSDJHCMTR-UHFFFAOYSA-N
MW322.24 g/mol
LogP3.53
Rot. Bonds4

About N-benzyl-2,5-dichlorothiophene-3-sulfonamide

N-benzyl-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 39791947) has the molecular formula C11H9Cl2NO2S2 and a molecular weight of 322.24 g/mol. Its IUPAC name is N-benzyl-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-benzyl-2,5-dichlorothiophene-3-sulfonamide
PubChem CID39791947
Molecular FormulaC11H9Cl2NO2S2
Molecular Weight322.24 g/mol
Exact Mass320.95
IUPAC NameN-benzyl-2,5-dichlorothiophene-3-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H9Cl2NO2S2/c12-10-6-9(11(13)17-10)18(15,16)14-7-8-4-2-1-3-5-8/h1-6,14H,7H2
InChIKeyCUQRABSDJHCMTR-UHFFFAOYSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2,5-dichlorothiophene-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

2,5-dichloro-N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-sulfonamide
CID 107234016
2,5-dichloro-N-[(3,5-dichlorophenyl)methyl]thiophene-3-sulfonamide
CID 3871882
2,5-dichloro-N-(2-phenylpropyl)thiophene-3-sulfonamide
CID 55365000
N-(1H-benzimidazol-2-ylmethyl)-2,5-dichlorothiophene-3-sulfonamide
CID 78991619
2,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]thiophene-3-sulfonamide
CID 3768405
2,5-dichloro-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide
CID 4657628
2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide
CID 114504676
N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167116
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
4-amino-3-N-benzyl-6-chlorobenzene-1,3-disulfonamide
CID 2817713
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 43090882

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-benzyl-2,5-dichlorothiophene-3-sulfonamide (CID 39791947) is N-benzyl-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-benzyl-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-benzyl-2,5-dichlorothiophene-3-sulfonamide is O=S(=O)(NCc1ccccc1)c1cc(Cl)sc1Cl.
What is the InChIKey of N-benzyl-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is CUQRABSDJHCMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO2S2/c12-10-6-9(11(13)17-10)18(15,16)14-7-8-4-2-1-3-5-8/h1-6,14H,7H2.
What are the key properties of N-benzyl-2,5-dichlorothiophene-3-sulfonamide?
N-benzyl-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 322.24 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 39791947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).