2,5-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-3-sulfonamide

C9H13Cl2NO4S2 — CID 113317287

IUPAC2,5-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-3-sulfonamide
SMILESCOCCN(CCO)S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H13Cl2NO4S2/c1-16-5-3-12(2-4-13)18(14,15)7-6-8(10)17-9(7)11/h6,13H,2-5H2,1H3
InChIKeyABLYSZPHSPFNJN-UHFFFAOYSA-N
MW334.25 g/mol
LogP1.68
Rot. Bonds7

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

2,5-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-3-sulfonamide (PubChem CID 113317287) has the molecular formula C9H13Cl2NO4S2 and a molecular weight of 334.25 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-3-sulfonamide
PubChem CID113317287
Molecular FormulaC9H13Cl2NO4S2
Molecular Weight334.25 g/mol
Exact Mass332.97
IUPAC Name2,5-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-3-sulfonamide
SMILESCOCCN(CCO)S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H13Cl2NO4S2/c1-16-5-3-12(2-4-13)18(14,15)7-6-8(10)17-9(7)11/h6,13H,2-5H2,1H3
InChIKeyABLYSZPHSPFNJN-UHFFFAOYSA-N
XLogP1.68
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanoate
CID 78959091
3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanethioamide
CID 63285533
2,5-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 43577625
4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 113317285
2,5-dichloro-N-cyclobutyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 102675869
2,5-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-3-sulfonamide
CID 113351327
5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
CID 103099958
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 115754224
4-chloro-N-(2-methoxyethyl)-2,5-dimethyl-N-propylbenzenesulfonamide
CID 3868959
4-chloro-N,N-bis(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 61233833
4-[bis(2-methoxyethyl)sulfamoyl]-5-bromothiophene-2-carboxylic acid
CID 43362638
N-[(4-aminophenyl)methyl]-2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 43458765

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-3-sulfonamide (CID 113317287) is 2,5-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-3-sulfonamide is COCCN(CCO)S(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-3-sulfonamide?
The InChIKey is ABLYSZPHSPFNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2NO4S2/c1-16-5-3-12(2-4-13)18(14,15)7-6-8(10)17-9(7)11/h6,13H,2-5H2,1H3.
What are the key properties of 2,5-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-3-sulfonamide has a molecular weight of 334.25 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 113317287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).