N-(4-hydroxy-1-methoxybutan-2-yl)-3-propanoylbenzenesulfonamide

C14H21NO5S — CID 103887543

IUPACN-(4-hydroxy-1-methoxybutan-2-yl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NC(CCO)COC)c1
InChIInChI=1S/C14H21NO5S/c1-3-14(17)11-5-4-6-13(9-11)21(18,19)15-12(7-8-16)10-20-2/h4-6,9,12,15-16H,3,7-8,10H2,1-2H3
InChIKeyFUYQLTUHLRGVPY-UHFFFAOYSA-N
MW315.39 g/mol
LogP0.95
Rot. Bonds9

About N-(4-hydroxy-1-methoxybutan-2-yl)-3-propanoylbenzenesulfonamide

N-(4-hydroxy-1-methoxybutan-2-yl)-3-propanoylbenzenesulfonamide (PubChem CID 103887543) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxybutan-2-yl)-3-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxybutan-2-yl)-3-propanoylbenzenesulfonamide
PubChem CID103887543
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC NameN-(4-hydroxy-1-methoxybutan-2-yl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NC(CCO)COC)c1
InChIInChI=1S/C14H21NO5S/c1-3-14(17)11-5-4-6-13(9-11)21(18,19)15-12(7-8-16)10-20-2/h4-6,9,12,15-16H,3,7-8,10H2,1-2H3
InChIKeyFUYQLTUHLRGVPY-UHFFFAOYSA-N
XLogP0.95
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-hydroxy-1-methoxybutan-2-yl)-3-propanoylbenzenesulfonamide 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

3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 103887495
N-pentan-2-yl-3-propanoylbenzenesulfonamide
CID 60872867
N-hexan-2-yl-3-propanoylbenzenesulfonamide
CID 62200821
N-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide
CID 61254119
1-[3-(2-hydroxyethylsulfonyl)phenyl]propan-1-one
CID 66838699
3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
CID 16768421
N-(2-methylbutyl)-3-propanoylbenzenesulfonamide
CID 62691641
N-[1-(furan-2-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 60873627
N-(4-bromo-1-methoxybutan-2-yl)-3-methylbenzenesulfonamide
CID 106158483
N-(3-ethylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 65042545
3-propanoyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854212
3-acetyl-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501743

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-3-propanoylbenzenesulfonamide?
The IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-3-propanoylbenzenesulfonamide (CID 103887543) is N-(4-hydroxy-1-methoxybutan-2-yl)-3-propanoylbenzenesulfonamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxybutan-2-yl)-3-propanoylbenzenesulfonamide?
The canonical SMILES for N-(4-hydroxy-1-methoxybutan-2-yl)-3-propanoylbenzenesulfonamide is CCC(=O)c1cccc(S(=O)(=O)NC(CCO)COC)c1.
What is the InChIKey of N-(4-hydroxy-1-methoxybutan-2-yl)-3-propanoylbenzenesulfonamide?
The InChIKey is FUYQLTUHLRGVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-3-14(17)11-5-4-6-13(9-11)21(18,19)15-12(7-8-16)10-20-2/h4-6,9,12,15-16H,3,7-8,10H2,1-2H3.
What are the key properties of N-(4-hydroxy-1-methoxybutan-2-yl)-3-propanoylbenzenesulfonamide?
N-(4-hydroxy-1-methoxybutan-2-yl)-3-propanoylbenzenesulfonamide has a molecular weight of 315.39 g/mol, XLogP of 0.95, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxybutan-2-yl)-3-propanoylbenzenesulfonamide is sourced from PubChem (CID 103887543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).