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

C9H13Cl2NO4S2 — CID 113343427

IUPAC2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide
SMILESCOCC(O)CCNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H13Cl2NO4S2/c1-16-5-6(13)2-3-12-18(14,15)7-4-8(10)17-9(7)11/h4,6,12-13H,2-3,5H2,1H3
InChIKeyGBXYJNPAHASCRE-UHFFFAOYSA-N
MW334.25 g/mol
LogP1.73
Rot. Bonds7

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

2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide (PubChem CID 113343427) has the molecular formula C9H13Cl2NO4S2 and a molecular weight of 334.25 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide
PubChem CID113343427
Molecular FormulaC9H13Cl2NO4S2
Molecular Weight334.25 g/mol
Exact Mass332.97
IUPAC Name2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide
SMILESCOCC(O)CCNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H13Cl2NO4S2/c1-16-5-6(13)2-3-12-18(14,15)7-4-8(10)17-9(7)11/h4,6,12-13H,2-3,5H2,1H3
InChIKeyGBXYJNPAHASCRE-UHFFFAOYSA-N
XLogP1.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-(3-chloro-4-methoxybutyl)thiophene-3-sulfonamide
CID 114163439
N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide
CID 114297747
5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-nitrothiophene-2-sulfonamide
CID 106245241
N-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide
CID 103875907
5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide
CID 106242625
2,5-dichloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-3-sulfonamide
CID 6975848
N-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide
CID 103876049
methyl 6-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoate
CID 43405598
5-amino-3-fluoro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzenesulfonamide
CID 106242638
2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)-3,6-dimethylbenzenesulfonamide
CID 103875890
3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide
CID 106242536
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide (CID 113343427) is 2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide is COCC(O)CCNS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide?
The InChIKey is GBXYJNPAHASCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2NO4S2/c1-16-5-6(13)2-3-12-18(14,15)7-4-8(10)17-9(7)11/h4,6,12-13H,2-3,5H2,1H3.
What are the key properties of 2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide has a molecular weight of 334.25 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide is sourced from PubChem (CID 113343427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).