3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide

C10H15NO3S — CID 94685063

IUPAC3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)CCCO)cc1
InChIInChI=1S/C10H15NO3S/c1-9-3-5-10(6-4-9)11-15(13,14)8-2-7-12/h3-6,11-12H,2,7-8H2,1H3
InChIKeyJWOOLFBABGGHDH-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.12
Rot. Bonds5

About 3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide

3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide (PubChem CID 94685063) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide
PubChem CID94685063
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)CCCO)cc1
InChIInChI=1S/C10H15NO3S/c1-9-3-5-10(6-4-9)11-15(13,14)8-2-7-12/h3-6,11-12H,2,7-8H2,1H3
InChIKeyJWOOLFBABGGHDH-UHFFFAOYSA-N
XLogP1.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide
CID 94688171
N-(4-bromo-3-methylphenyl)-3-hydroxypropane-1-sulfonamide
CID 94717956
N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
CID 112986049
4-hydroxy-N-[4-(methoxymethyl)phenyl]butane-1-sulfonamide
CID 114252948
N-(4-methylphenyl)-3-octoxypropane-1-sulfonamide
CID 22889852
N-(4-bromo-3,5-dimethylphenyl)-4-hydroxybutane-1-sulfonamide
CID 114135739
[4-(butylsulfonylamino)phenyl] 4-methylbenzenesulfonate
CID 59375206
N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide
CID 112982187
4-(2-hydroxyethylsulfonylamino)benzenesulfonamide
CID 79026491
2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide
CID 617178
4-[(4-methylphenyl)methylsulfonylamino]benzamide
CID 110756530
N-(3-chloro-4-fluorophenyl)-4-hydroxybutane-1-sulfonamide
CID 114133599

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide?
The IUPAC name of 3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide (CID 94685063) is 3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide.
What is the SMILES notation for 3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide?
The canonical SMILES for 3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide is Cc1ccc(NS(=O)(=O)CCCO)cc1.
What is the InChIKey of 3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide?
The InChIKey is JWOOLFBABGGHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-9-3-5-10(6-4-9)11-15(13,14)8-2-7-12/h3-6,11-12H,2,7-8H2,1H3.
What are the key properties of 3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide?
3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide has a molecular weight of 229.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 94685063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).