N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide

C12H11Cl2NO2S2 — CID 113098917

IUPACN-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C12H11Cl2NO2S2/c1-2-11-3-4-12(18-11)19(16,17)15-10-6-8(13)5-9(14)7-10/h3-7,15H,2H2,1H3
InChIKeyBRWRPOZSISQDOR-UHFFFAOYSA-N
MW336.27 g/mol
LogP4.42
Rot. Bonds4

About N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide

N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide (PubChem CID 113098917) has the molecular formula C12H11Cl2NO2S2 and a molecular weight of 336.27 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide
PubChem CID113098917
Molecular FormulaC12H11Cl2NO2S2
Molecular Weight336.27 g/mol
Exact Mass334.96
IUPAC NameN-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C12H11Cl2NO2S2/c1-2-11-3-4-12(18-11)19(16,17)15-10-6-8(13)5-9(14)7-10/h3-7,15H,2H2,1H3
InChIKeyBRWRPOZSISQDOR-UHFFFAOYSA-N
XLogP4.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191064
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
N-(3-amino-4-chlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 61454417
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
N-(3,5-dichlorophenyl)-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetamide
CID 113001388
N-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 61454311
N-(6-chloro-3-pyridinyl)-5-ethylthiophene-2-sulfonamide
CID 113231899
N-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide
CID 81433105
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103
5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide
CID 47309123
N-(4-amino-3-methylphenyl)-5-ethylthiophene-2-sulfonamide
CID 54984022
N-(4-cyanophenyl)-5-ethylthiophene-2-sulfonamide
CID 47309319

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide (CID 113098917) is N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)s1.
What is the InChIKey of N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide?
The InChIKey is BRWRPOZSISQDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO2S2/c1-2-11-3-4-12(18-11)19(16,17)15-10-6-8(13)5-9(14)7-10/h3-7,15H,2H2,1H3.
What are the key properties of N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide?
N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide has a molecular weight of 336.27 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 113098917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).