3,4-diethoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide

C14H23NO5S — CID 43501581

IUPAC3,4-diethoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC(CC)CO)cc1OCC
InChIInChI=1S/C14H23NO5S/c1-4-11(10-16)15-21(17,18)12-7-8-13(19-5-2)14(9-12)20-6-3/h7-9,11,15-16H,4-6,10H2,1-3H3
InChIKeyMZWBOMMGVKOBSD-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.53
Rot. Bonds9

About 3,4-diethoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide

3,4-diethoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide (PubChem CID 43501581) has the molecular formula C14H23NO5S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3,4-diethoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide
PubChem CID43501581
Molecular FormulaC14H23NO5S
Molecular Weight317.41 g/mol
Exact Mass317.13
IUPAC Name3,4-diethoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC(CC)CO)cc1OCC
InChIInChI=1S/C14H23NO5S/c1-4-11(10-16)15-21(17,18)12-7-8-13(19-5-2)14(9-12)20-6-3/h7-9,11,15-16H,4-6,10H2,1-3H3
InChIKeyMZWBOMMGVKOBSD-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

Analyze 3,4-diethoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide
CID 51697625
5-(1,3-dihydroxypropan-2-ylsulfamoyl)-2-ethoxybenzoic acid
CID 65314855
2-N,6-N-bis(1-hydroxybutan-2-yl)-9,10-dioxoanthracene-2,6-disulfonamide
CID 4568672
5-(1-hydroxybutan-2-ylsulfamoyl)-2-methoxybenzoic acid
CID 43498968
N-(1-aminopropan-2-yl)-3,4-diethoxybenzenesulfonamide
CID 63732823
4-ethoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032258
N-[5-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 104981838
4-butoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 22711687
4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104981948
4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 67276511
N-[(2S)-1-hydroxybutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 104981860
2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide
CID 107856823

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide?
The IUPAC name of 3,4-diethoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide (CID 43501581) is 3,4-diethoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-diethoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide?
The canonical SMILES for 3,4-diethoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NC(CC)CO)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide?
The InChIKey is MZWBOMMGVKOBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5S/c1-4-11(10-16)15-21(17,18)12-7-8-13(19-5-2)14(9-12)20-6-3/h7-9,11,15-16H,4-6,10H2,1-3H3.
What are the key properties of 3,4-diethoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide?
3,4-diethoxy-N-(1-hydroxybutan-2-yl)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-(1-hydroxybutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43501581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).