2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide

C9H13Cl2NO3S2 — CID 107319312

IUPAC2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NCCCCCO)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H13Cl2NO3S2/c10-8-6-7(9(11)16-8)17(14,15)12-4-2-1-3-5-13/h6,12-13H,1-5H2
InChIKeyISJLIPQQZFFOIC-UHFFFAOYSA-N
MW318.25 g/mol
LogP2.50
Rot. Bonds7

About 2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide

2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide (PubChem CID 107319312) has the molecular formula C9H13Cl2NO3S2 and a molecular weight of 318.25 g/mol. Its IUPAC name is 2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide
PubChem CID107319312
Molecular FormulaC9H13Cl2NO3S2
Molecular Weight318.25 g/mol
Exact Mass316.97
IUPAC Name2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NCCCCCO)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H13Cl2NO3S2/c10-8-6-7(9(11)16-8)17(14,15)12-4-2-1-3-5-13/h6,12-13H,1-5H2
InChIKeyISJLIPQQZFFOIC-UHFFFAOYSA-N
XLogP2.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide
CID 114504676
N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167116
methyl 6-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoate
CID 43405598
2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide
CID 61132382
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid
CID 114285508
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide
CID 113318751
2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-sulfonamide
CID 106843930
4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316375
N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide
CID 114297747
2-[[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetyl]amino]acetic acid
CID 43386864
N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide
CID 114296020

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide (CID 107319312) is 2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide is O=S(=O)(NCCCCCO)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide?
The InChIKey is ISJLIPQQZFFOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2NO3S2/c10-8-6-7(9(11)16-8)17(14,15)12-4-2-1-3-5-13/h6,12-13H,1-5H2.
What are the key properties of 2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide has a molecular weight of 318.25 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide is sourced from PubChem (CID 107319312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).