4-amino-3-(dipropylamino)-N-methylbenzenesulfonamide

C13H23N3O2S — CID 82898904

IUPAC4-amino-3-(dipropylamino)-N-methylbenzenesulfonamide
SMILESCCCN(CCC)c1cc(S(=O)(=O)NC)ccc1N
InChIInChI=1S/C13H23N3O2S/c1-4-8-16(9-5-2)13-10-11(6-7-12(13)14)19(17,18)15-3/h6-7,10,15H,4-5,8-9,14H2,1-3H3
InChIKeyJXYGAOGDLYIHBK-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.80
Rot. Bonds7

About 4-amino-3-(dipropylamino)-N-methylbenzenesulfonamide

4-amino-3-(dipropylamino)-N-methylbenzenesulfonamide (PubChem CID 82898904) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-amino-3-(dipropylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(dipropylamino)-N-methylbenzenesulfonamide
PubChem CID82898904
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name4-amino-3-(dipropylamino)-N-methylbenzenesulfonamide
SMILESCCCN(CCC)c1cc(S(=O)(=O)NC)ccc1N
InChIInChI=1S/C13H23N3O2S/c1-4-8-16(9-5-2)13-10-11(6-7-12(13)14)19(17,18)15-3/h6-7,10,15H,4-5,8-9,14H2,1-3H3
InChIKeyJXYGAOGDLYIHBK-UHFFFAOYSA-N
XLogP1.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-3-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 82898644
4-amino-3-[2-cyanopropyl(ethyl)amino]-N-methylbenzenesulfonamide
CID 82899124
4-amino-3-[ethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82899326
4-amino-N-methyl-3-[methyl(3-methylbutyl)amino]benzenesulfonamide
CID 82899686
2-[2-amino-N-(2-methylpropyl)-5-(methylsulfamoyl)anilino]acetamide
CID 82899371
4-amino-3-[5-hydroxypentyl(methyl)amino]-N-methylbenzenesulfonamide
CID 107197912
3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzenesulfonamide
CID 43449230
4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82899998
4-amino-3-[(2S)-butan-2-yl]-N-methylbenzenesulfonamide
CID 163446089
4-amino-3-(butan-2-ylamino)-N-methylbenzenesulfonamide
CID 82899814

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(dipropylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(dipropylamino)-N-methylbenzenesulfonamide (CID 82898904) is 4-amino-3-(dipropylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(dipropylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(dipropylamino)-N-methylbenzenesulfonamide is CCCN(CCC)c1cc(S(=O)(=O)NC)ccc1N.
What is the InChIKey of 4-amino-3-(dipropylamino)-N-methylbenzenesulfonamide?
The InChIKey is JXYGAOGDLYIHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-8-16(9-5-2)13-10-11(6-7-12(13)14)19(17,18)15-3/h6-7,10,15H,4-5,8-9,14H2,1-3H3.
What are the key properties of 4-amino-3-(dipropylamino)-N-methylbenzenesulfonamide?
4-amino-3-(dipropylamino)-N-methylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(dipropylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 82898904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).