N,N-bis(2-ethoxyethyl)-3-hydroxybenzenesulfonamide

C14H23NO5S — CID 82939428

IUPACN,N-bis(2-ethoxyethyl)-3-hydroxybenzenesulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C14H23NO5S/c1-3-19-10-8-15(9-11-20-4-2)21(17,18)14-7-5-6-13(16)12-14/h5-7,12,16H,3-4,8-11H2,1-2H3
InChIKeyDKDUQVQSHISVDY-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.46
Rot. Bonds10

About N,N-bis(2-ethoxyethyl)-3-hydroxybenzenesulfonamide

N,N-bis(2-ethoxyethyl)-3-hydroxybenzenesulfonamide (PubChem CID 82939428) has the molecular formula C14H23NO5S and a molecular weight of 317.41 g/mol. Its IUPAC name is N,N-bis(2-ethoxyethyl)-3-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN,N-bis(2-ethoxyethyl)-3-hydroxybenzenesulfonamide
PubChem CID82939428
Molecular FormulaC14H23NO5S
Molecular Weight317.41 g/mol
Exact Mass317.13
IUPAC NameN,N-bis(2-ethoxyethyl)-3-hydroxybenzenesulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C14H23NO5S/c1-3-19-10-8-15(9-11-20-4-2)21(17,18)14-7-5-6-13(16)12-14/h5-7,12,16H,3-4,8-11H2,1-2H3
InChIKeyDKDUQVQSHISVDY-UHFFFAOYSA-N
XLogP1.46
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide
CID 46232296
N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide
CID 102995327
methyl 2-[ethyl-(3-hydroxyphenyl)sulfonylamino]acetate
CID 81258786
5-[2-ethoxyethyl(ethyl)sulfamoyl]-2-hydroxybenzoic acid
CID 63697925
4-cyano-N,N-bis(2-ethoxyethyl)benzenesulfonamide
CID 3821573
3-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107481602
2-chloro-4-[2-ethoxyethyl(ethyl)sulfamoyl]benzoic acid
CID 107090087
3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid
CID 2119389
N-(2-ethoxyethyl)-N-ethyl-4-(1-hydroxyethyl)benzenesulfonamide
CID 63691304
3-[2-ethoxyethyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 63691803
4-[2-ethoxyethyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 63690581
4-(bromomethyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 65481240

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethoxyethyl)-3-hydroxybenzenesulfonamide?
The IUPAC name of N,N-bis(2-ethoxyethyl)-3-hydroxybenzenesulfonamide (CID 82939428) is N,N-bis(2-ethoxyethyl)-3-hydroxybenzenesulfonamide.
What is the SMILES notation for N,N-bis(2-ethoxyethyl)-3-hydroxybenzenesulfonamide?
The canonical SMILES for N,N-bis(2-ethoxyethyl)-3-hydroxybenzenesulfonamide is CCOCCN(CCOCC)S(=O)(=O)c1cccc(O)c1.
What is the InChIKey of N,N-bis(2-ethoxyethyl)-3-hydroxybenzenesulfonamide?
The InChIKey is DKDUQVQSHISVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5S/c1-3-19-10-8-15(9-11-20-4-2)21(17,18)14-7-5-6-13(16)12-14/h5-7,12,16H,3-4,8-11H2,1-2H3.
What are the key properties of N,N-bis(2-ethoxyethyl)-3-hydroxybenzenesulfonamide?
N,N-bis(2-ethoxyethyl)-3-hydroxybenzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 1.46, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethoxyethyl)-3-hydroxybenzenesulfonamide is sourced from PubChem (CID 82939428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).