3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide

C14H23NO5S — CID 64912288

IUPAC3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(C)O)cc1OCC
InChIInChI=1S/C14H23NO5S/c1-4-19-13-7-6-12(10-14(13)20-5-2)21(17,18)15-9-8-11(3)16/h6-7,10-11,15-16H,4-5,8-9H2,1-3H3
InChIKeyDVFJLPQCUUNMAX-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.53
Rot. Bonds9

About 3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide

3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide (PubChem CID 64912288) has the molecular formula C14H23NO5S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide
PubChem CID64912288
Molecular FormulaC14H23NO5S
Molecular Weight317.41 g/mol
Exact Mass317.13
IUPAC Name3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(C)O)cc1OCC
InChIInChI=1S/C14H23NO5S/c1-4-19-13-7-6-12(10-14(13)20-5-2)21(17,18)15-9-8-11(3)16/h6-7,10-11,15-16H,4-5,8-9H2,1-3H3
InChIKeyDVFJLPQCUUNMAX-UHFFFAOYSA-N
XLogP1.53
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119972505
N-butyl-3,4-diethoxybenzenesulfonamide
CID 40747179
N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 64911448
3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 64912268
N-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119962102
3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide
CID 9173625
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,4-diethoxybenzenesulfonamide
CID 55521871
4-amino-3-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 82844340
N-(1-aminopropan-2-yl)-3,4-diethoxybenzenesulfonamide
CID 63732823
N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 64913130
3-amino-4-chloro-N-(3-hydroxybutyl)benzenesulfonamide
CID 53409667
N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide
CID 64913123

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide?
The IUPAC name of 3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide (CID 64912288) is 3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide.
What is the SMILES notation for 3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide?
The canonical SMILES for 3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCC(C)O)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide?
The InChIKey is DVFJLPQCUUNMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5S/c1-4-19-13-7-6-12(10-14(13)20-5-2)21(17,18)15-9-8-11(3)16/h6-7,10-11,15-16H,4-5,8-9H2,1-3H3.
What are the key properties of 3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide?
3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 1.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide is sourced from PubChem (CID 64912288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).