2,5-dichloro-N-(3-chloro-4-methoxybutyl)thiophene-3-sulfonamide

C9H12Cl3NO3S2 — CID 114163439

IUPAC2,5-dichloro-N-(3-chloro-4-methoxybutyl)thiophene-3-sulfonamide
SMILESCOCC(Cl)CCNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H12Cl3NO3S2/c1-16-5-6(10)2-3-13-18(14,15)7-4-8(11)17-9(7)12/h4,6,13H,2-3,5H2,1H3
InChIKeyUPRRJQUVANQWKT-UHFFFAOYSA-N
MW352.69 g/mol
LogP2.98
Rot. Bonds7

About 2,5-dichloro-N-(3-chloro-4-methoxybutyl)thiophene-3-sulfonamide

2,5-dichloro-N-(3-chloro-4-methoxybutyl)thiophene-3-sulfonamide (PubChem CID 114163439) has the molecular formula C9H12Cl3NO3S2 and a molecular weight of 352.69 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-chloro-4-methoxybutyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-chloro-4-methoxybutyl)thiophene-3-sulfonamide
PubChem CID114163439
Molecular FormulaC9H12Cl3NO3S2
Molecular Weight352.69 g/mol
Exact Mass350.93
IUPAC Name2,5-dichloro-N-(3-chloro-4-methoxybutyl)thiophene-3-sulfonamide
SMILESCOCC(Cl)CCNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H12Cl3NO3S2/c1-16-5-6(10)2-3-13-18(14,15)7-4-8(11)17-9(7)12/h4,6,13H,2-3,5H2,1H3
InChIKeyUPRRJQUVANQWKT-UHFFFAOYSA-N
XLogP2.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.69
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide
CID 113343427
2,5-dichloro-N-(3-chloro-4-methoxybutyl)benzenesulfonamide
CID 114163434
N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide
CID 114297747
N-(3-chloro-4-methoxybutyl)-2,5-dimethylbenzenesulfonamide
CID 106245434
4-bromo-N-(3-chloro-4-methoxybutyl)-2-fluorobenzenesulfonamide
CID 106245450
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide
CID 114296020
N-(3-chloro-4-methoxybutyl)-4-methoxybenzenesulfonamide
CID 106245506
methyl 6-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoate
CID 43405598
N-[2-(4-aminophenoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide
CID 61031745
2,5-dichloro-N-[2-(3-methoxyphenoxy)ethyl]thiophene-3-sulfonamide
CID 34111661
2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide
CID 114504676

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-chloro-4-methoxybutyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(3-chloro-4-methoxybutyl)thiophene-3-sulfonamide (CID 114163439) is 2,5-dichloro-N-(3-chloro-4-methoxybutyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(3-chloro-4-methoxybutyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(3-chloro-4-methoxybutyl)thiophene-3-sulfonamide is COCC(Cl)CCNS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-chloro-4-methoxybutyl)thiophene-3-sulfonamide?
The InChIKey is UPRRJQUVANQWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl3NO3S2/c1-16-5-6(10)2-3-13-18(14,15)7-4-8(11)17-9(7)12/h4,6,13H,2-3,5H2,1H3.
What are the key properties of 2,5-dichloro-N-(3-chloro-4-methoxybutyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(3-chloro-4-methoxybutyl)thiophene-3-sulfonamide has a molecular weight of 352.69 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-chloro-4-methoxybutyl)thiophene-3-sulfonamide is sourced from PubChem (CID 114163439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).