4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide

C13H19NO3S — CID 114101242

IUPAC4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide
SMILESCCCC1(CNS(=O)(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C13H19NO3S/c1-2-7-13(8-9-13)10-14-18(16,17)12-5-3-11(15)4-6-12/h3-6,14-15H,2,7-10H2,1H3
InChIKeyHYHUGFUFMBOWGG-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.25
Rot. Bonds6

About 4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide

4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 114101242) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide
PubChem CID114101242
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide
SMILESCCCC1(CNS(=O)(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C13H19NO3S/c1-2-7-13(8-9-13)10-14-18(16,17)12-5-3-11(15)4-6-12/h3-6,14-15H,2,7-10H2,1H3
InChIKeyHYHUGFUFMBOWGG-UHFFFAOYSA-N
XLogP2.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-N-[(1-propylcyclopropyl)methyl]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-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide
CID 83121671
N-ethyl-4-hydroxybenzenesulfonamide
CID 43135494
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 115455389
4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114758607
4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 114116819
N-[4-[[1-(2-chloroethyl)cyclopropyl]methylsulfamoyl]phenyl]acetamide
CID 114758572
4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80742757
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide
CID 113313712
N-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide
CID 115456564
5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide
CID 114102371
5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
CID 114102370
5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106272096

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide (CID 114101242) is 4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide is CCCC1(CNS(=O)(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of 4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is HYHUGFUFMBOWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-2-7-13(8-9-13)10-14-18(16,17)12-5-3-11(15)4-6-12/h3-6,14-15H,2,7-10H2,1H3.
What are the key properties of 4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide?
4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 114101242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).