4-amino-3-[5-hydroxypentyl(methyl)amino]-N-methylbenzenesulfonamide

C13H23N3O3S — CID 107197912

IUPAC4-amino-3-[5-hydroxypentyl(methyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(N(C)CCCCCO)c1
InChIInChI=1S/C13H23N3O3S/c1-15-20(18,19)11-6-7-12(14)13(10-11)16(2)8-4-3-5-9-17/h6-7,10,15,17H,3-5,8-9,14H2,1-2H3
InChIKeyYCNKYXNSFBVHLT-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.78
Rot. Bonds8

About 4-amino-3-[5-hydroxypentyl(methyl)amino]-N-methylbenzenesulfonamide

4-amino-3-[5-hydroxypentyl(methyl)amino]-N-methylbenzenesulfonamide (PubChem CID 107197912) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-amino-3-[5-hydroxypentyl(methyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[5-hydroxypentyl(methyl)amino]-N-methylbenzenesulfonamide
PubChem CID107197912
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name4-amino-3-[5-hydroxypentyl(methyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(N(C)CCCCCO)c1
InChIInChI=1S/C13H23N3O3S/c1-15-20(18,19)11-6-7-12(14)13(10-11)16(2)8-4-3-5-9-17/h6-7,10,15,17H,3-5,8-9,14H2,1-2H3
InChIKeyYCNKYXNSFBVHLT-UHFFFAOYSA-N
XLogP0.78
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 82898644
4-amino-N-methyl-3-[methyl(3-methylbutyl)amino]benzenesulfonamide
CID 82899686
4-amino-3-(dipropylamino)-N-methylbenzenesulfonamide
CID 82898904
4-amino-N-methyl-3-[pentyl(propan-2-yl)amino]benzenesulfonamide
CID 82899358
2-[2-amino-N-ethyl-5-(methylsulfamoyl)anilino]-N,N-dimethylacetamide
CID 82899999
4-amino-N-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzenesulfonamide
CID 82898113
4-amino-3-(2-hydroxyethylsulfanyl)-N-methylbenzenesulfonamide
CID 82901119
3-amino-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-methylbenzenesulfonamide
CID 106141042
5-amino-2-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103286700
2-[2-amino-N-(2-methylpropyl)-5-(methylsulfamoyl)anilino]acetamide
CID 82899371
3-amino-N-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide
CID 43526133
3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide
CID 107197609

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[5-hydroxypentyl(methyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-[5-hydroxypentyl(methyl)amino]-N-methylbenzenesulfonamide (CID 107197912) is 4-amino-3-[5-hydroxypentyl(methyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-[5-hydroxypentyl(methyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-[5-hydroxypentyl(methyl)amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(N(C)CCCCCO)c1.
What is the InChIKey of 4-amino-3-[5-hydroxypentyl(methyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is YCNKYXNSFBVHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-15-20(18,19)11-6-7-12(14)13(10-11)16(2)8-4-3-5-9-17/h6-7,10,15,17H,3-5,8-9,14H2,1-2H3.
What are the key properties of 4-amino-3-[5-hydroxypentyl(methyl)amino]-N-methylbenzenesulfonamide?
4-amino-3-[5-hydroxypentyl(methyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 0.78, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[5-hydroxypentyl(methyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 107197912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).