4-(aminomethyl)-N-(3-hydroxypropyl)benzenesulfonamide

C10H16N2O3S — CID 102537257

IUPAC4-(aminomethyl)-N-(3-hydroxypropyl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCCO)cc1
InChIInChI=1S/C10H16N2O3S/c11-8-9-2-4-10(5-3-9)16(14,15)12-6-1-7-13/h2-5,12-13H,1,6-8,11H2
InChIKeyYPFHZLLKTIYXLU-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.19
Rot. Bonds6

About 4-(aminomethyl)-N-(3-hydroxypropyl)benzenesulfonamide

4-(aminomethyl)-N-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 102537257) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-hydroxypropyl)benzenesulfonamide
PubChem CID102537257
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name4-(aminomethyl)-N-(3-hydroxypropyl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCCO)cc1
InChIInChI=1S/C10H16N2O3S/c11-8-9-2-4-10(5-3-9)16(14,15)12-6-1-7-13/h2-5,12-13H,1,6-8,11H2
InChIKeyYPFHZLLKTIYXLU-UHFFFAOYSA-N
XLogP-0.19
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(aminomethyl)-N-(3-hydroxypropyl)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

4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide
CID 43501515
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
4-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 62989950
4-amino-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316374
N-[2-[[4-(aminomethyl)phenyl]sulfonylamino]ethyl]acetamide
CID 43552821
4-ethenyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 67924061
N-(3-aminopropyl)-4-ethylbenzenesulfonamide
CID 28754062
4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
2-[[4-(aminomethyl)phenyl]sulfonylamino]-N,N-dimethylacetamide
CID 43310982
4-(5-hydroxypentylsulfamoyl)benzamide
CID 107319438
ethyl 3-[[4-(aminomethyl)phenyl]sulfonylamino]propanoate
CID 69157083
4-(aminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104759938

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(3-hydroxypropyl)benzenesulfonamide (CID 102537257) is 4-(aminomethyl)-N-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-hydroxypropyl)benzenesulfonamide is NCc1ccc(S(=O)(=O)NCCCO)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is YPFHZLLKTIYXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c11-8-9-2-4-10(5-3-9)16(14,15)12-6-1-7-13/h2-5,12-13H,1,6-8,11H2.
What are the key properties of 4-(aminomethyl)-N-(3-hydroxypropyl)benzenesulfonamide?
4-(aminomethyl)-N-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of -0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 102537257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).