3-amino-5-(dipropylamino)benzenesulfonamide

C12H21N3O2S — CID 54888017

IUPAC3-amino-5-(dipropylamino)benzenesulfonamide
SMILESCCCN(CCC)c1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C12H21N3O2S/c1-3-5-15(6-4-2)11-7-10(13)8-12(9-11)18(14,16)17/h7-9H,3-6,13H2,1-2H3,(H2,14,16,17)
InChIKeyAADYRZIGKBWCKT-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.54
Rot. Bonds6

About 3-amino-5-(dipropylamino)benzenesulfonamide

3-amino-5-(dipropylamino)benzenesulfonamide (PubChem CID 54888017) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-amino-5-(dipropylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-(dipropylamino)benzenesulfonamide
PubChem CID54888017
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name3-amino-5-(dipropylamino)benzenesulfonamide
SMILESCCCN(CCC)c1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C12H21N3O2S/c1-3-5-15(6-4-2)11-7-10(13)8-12(9-11)18(14,16)17/h7-9H,3-6,13H2,1-2H3,(H2,14,16,17)
InChIKeyAADYRZIGKBWCKT-UHFFFAOYSA-N
XLogP1.54
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(dipropylamino)benzenesulfonamide?
The IUPAC name of 3-amino-5-(dipropylamino)benzenesulfonamide (CID 54888017) is 3-amino-5-(dipropylamino)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-(dipropylamino)benzenesulfonamide?
The canonical SMILES for 3-amino-5-(dipropylamino)benzenesulfonamide is CCCN(CCC)c1cc(N)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-5-(dipropylamino)benzenesulfonamide?
The InChIKey is AADYRZIGKBWCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-3-5-15(6-4-2)11-7-10(13)8-12(9-11)18(14,16)17/h7-9H,3-6,13H2,1-2H3,(H2,14,16,17).
What are the key properties of 3-amino-5-(dipropylamino)benzenesulfonamide?
3-amino-5-(dipropylamino)benzenesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(dipropylamino)benzenesulfonamide is sourced from PubChem (CID 54888017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).