N,N-bis(2-hydroxyethyl)-4-(2-methoxyethoxy)benzenesulfonamide

C13H21NO6S — CID 61233827

IUPACN,N-bis(2-hydroxyethyl)-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)N(CCO)CCO)cc1
InChIInChI=1S/C13H21NO6S/c1-19-10-11-20-12-2-4-13(5-3-12)21(17,18)14(6-8-15)7-9-16/h2-5,15-16H,6-11H2,1H3
InChIKeyLGZCLGNVMSAKGL-UHFFFAOYSA-N
MW319.38 g/mol
LogP-0.31
Rot. Bonds10

About N,N-bis(2-hydroxyethyl)-4-(2-methoxyethoxy)benzenesulfonamide

N,N-bis(2-hydroxyethyl)-4-(2-methoxyethoxy)benzenesulfonamide (PubChem CID 61233827) has the molecular formula C13H21NO6S and a molecular weight of 319.38 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-4-(2-methoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-4-(2-methoxyethoxy)benzenesulfonamide
PubChem CID61233827
Molecular FormulaC13H21NO6S
Molecular Weight319.38 g/mol
Exact Mass319.11
IUPAC NameN,N-bis(2-hydroxyethyl)-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)N(CCO)CCO)cc1
InChIInChI=1S/C13H21NO6S/c1-19-10-11-20-12-2-4-13(5-3-12)21(17,18)14(6-8-15)7-9-16/h2-5,15-16H,6-11H2,1H3
InChIKeyLGZCLGNVMSAKGL-UHFFFAOYSA-N
XLogP-0.31
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 113317285
4-(2-hydroxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 63102404
4-(2-methoxyethoxy)benzenesulfonyl fluoride
CID 98661024
N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115622115
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 59350880
N-ethyl-4-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 55676521
N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)-N-phenylbenzenesulfonamide
CID 60609661
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide
CID 104626174
N-ethyl-N-[2-[2-[2-[2-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethoxy]ethyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 100986628
methyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate
CID 61011338
4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide
CID 47294827
4-ethoxy-N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 46319253

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-4-(2-methoxyethoxy)benzenesulfonamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-4-(2-methoxyethoxy)benzenesulfonamide (CID 61233827) is N,N-bis(2-hydroxyethyl)-4-(2-methoxyethoxy)benzenesulfonamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-4-(2-methoxyethoxy)benzenesulfonamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-4-(2-methoxyethoxy)benzenesulfonamide is COCCOc1ccc(S(=O)(=O)N(CCO)CCO)cc1.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-4-(2-methoxyethoxy)benzenesulfonamide?
The InChIKey is LGZCLGNVMSAKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO6S/c1-19-10-11-20-12-2-4-13(5-3-12)21(17,18)14(6-8-15)7-9-16/h2-5,15-16H,6-11H2,1H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-4-(2-methoxyethoxy)benzenesulfonamide?
N,N-bis(2-hydroxyethyl)-4-(2-methoxyethoxy)benzenesulfonamide has a molecular weight of 319.38 g/mol, XLogP of -0.31, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-4-(2-methoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 61233827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).