4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide

C10H16N2O5S2 — CID 43501515

IUPAC4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)NCCCO)cc1
InChIInChI=1S/C10H16N2O5S2/c1-11-18(14,15)9-3-5-10(6-4-9)19(16,17)12-7-2-8-13/h3-6,11-13H,2,7-8H2,1H3
InChIKeyVNJZTKSGWMXDOD-UHFFFAOYSA-N
MW308.38 g/mol
LogP-0.74
Rot. Bonds7

About 4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide

4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide (PubChem CID 43501515) has the molecular formula C10H16N2O5S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide
PubChem CID43501515
Molecular FormulaC10H16N2O5S2
Molecular Weight308.38 g/mol
Exact Mass308.05
IUPAC Name4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)NCCCO)cc1
InChIInChI=1S/C10H16N2O5S2/c1-11-18(14,15)9-3-5-10(6-4-9)19(16,17)12-7-2-8-13/h3-6,11-13H,2,7-8H2,1H3
InChIKeyVNJZTKSGWMXDOD-UHFFFAOYSA-N
XLogP-0.74
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide 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-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 43453851
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide
CID 107848765
4-(aminomethyl)-N-(3-hydroxypropyl)benzenesulfonamide
CID 102537257
N-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide
CID 78854970
4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
4-ethenyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 67924061
4-amino-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316374
methyl 2-[4-(3-hydroxypropylsulfamoyl)phenoxy]acetate
CID 126134738
methyl 4-(4-hydroxybutylsulfamoyl)benzoate
CID 106844012
4-(4-hydroxybutylamino)-N-propylbenzenesulfonamide
CID 106842590
4-[butyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide
CID 61448236

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide?
The IUPAC name of 4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide (CID 43501515) is 4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide?
The canonical SMILES for 4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide is CNS(=O)(=O)c1ccc(S(=O)(=O)NCCCO)cc1.
What is the InChIKey of 4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide?
The InChIKey is VNJZTKSGWMXDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S2/c1-11-18(14,15)9-3-5-10(6-4-9)19(16,17)12-7-2-8-13/h3-6,11-13H,2,7-8H2,1H3.
What are the key properties of 4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide?
4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide has a molecular weight of 308.38 g/mol, XLogP of -0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide is sourced from PubChem (CID 43501515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).