2,5-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-sulfonamide

C12H12Cl2N2O4S3 — CID 39792284

IUPAC2,5-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C12H12Cl2N2O4S3/c13-11-7-10(12(14)21-11)23(19,20)16-6-5-8-1-3-9(4-2-8)22(15,17)18/h1-4,7,16H,5-6H2,(H2,15,17,18)
InChIKeyNHGGRPDHJOMETR-UHFFFAOYSA-N
MW415.35 g/mol
LogP2.22
Rot. Bonds6

About 2,5-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-sulfonamide

2,5-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-sulfonamide (PubChem CID 39792284) has the molecular formula C12H12Cl2N2O4S3 and a molecular weight of 415.35 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-sulfonamide
PubChem CID39792284
Molecular FormulaC12H12Cl2N2O4S3
Molecular Weight415.35 g/mol
Exact Mass413.93
IUPAC Name2,5-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C12H12Cl2N2O4S3/c13-11-7-10(12(14)21-11)23(19,20)16-6-5-8-1-3-9(4-2-8)22(15,17)18/h1-4,7,16H,5-6H2,(H2,15,17,18)
InChIKeyNHGGRPDHJOMETR-UHFFFAOYSA-N
XLogP2.22
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide
CID 61132382
N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167116
N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-sulfonamide
CID 5194103
2,5-dichloro-N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-sulfonamide
CID 107234016
2,5-dichloro-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide
CID 4657628
2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide
CID 114504676
3-bromo-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 2551997
N-benzyl-2,5-dichlorothiophene-3-sulfonamide
CID 39791947
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
5-(benzenesulfonyl)-2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 57430146
2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide
CID 107319312
5-bromo-2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 4830347

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-sulfonamide (CID 39792284) is 2,5-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-sulfonamide is NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2cc(Cl)sc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-sulfonamide?
The InChIKey is NHGGRPDHJOMETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O4S3/c13-11-7-10(12(14)21-11)23(19,20)16-6-5-8-1-3-9(4-2-8)22(15,17)18/h1-4,7,16H,5-6H2,(H2,15,17,18).
What are the key properties of 2,5-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-sulfonamide?
2,5-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-sulfonamide has a molecular weight of 415.35 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 39792284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).