3-amino-N,N-diethyl-4-(propylamino)benzenesulfonamide

C13H23N3O2S — CID 3810560

IUPAC3-amino-N,N-diethyl-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1N
InChIInChI=1S/C13H23N3O2S/c1-4-9-15-13-8-7-11(10-12(13)14)19(17,18)16(5-2)6-3/h7-8,10,15H,4-6,9,14H2,1-3H3
InChIKeyWTBKXFUXSGJNIA-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.12
Rot. Bonds7

About 3-amino-N,N-diethyl-4-(propylamino)benzenesulfonamide

3-amino-N,N-diethyl-4-(propylamino)benzenesulfonamide (PubChem CID 3810560) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 3-amino-N,N-diethyl-4-(propylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,N-diethyl-4-(propylamino)benzenesulfonamide
PubChem CID3810560
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name3-amino-N,N-diethyl-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1N
InChIInChI=1S/C13H23N3O2S/c1-4-9-15-13-8-7-11(10-12(13)14)19(17,18)16(5-2)6-3/h7-8,10,15H,4-6,9,14H2,1-3H3
InChIKeyWTBKXFUXSGJNIA-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
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-N,N-diethyl-4-(propylamino)benzenesulfonamide?
The IUPAC name of 3-amino-N,N-diethyl-4-(propylamino)benzenesulfonamide (CID 3810560) is 3-amino-N,N-diethyl-4-(propylamino)benzenesulfonamide.
What is the SMILES notation for 3-amino-N,N-diethyl-4-(propylamino)benzenesulfonamide?
The canonical SMILES for 3-amino-N,N-diethyl-4-(propylamino)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1N.
What is the InChIKey of 3-amino-N,N-diethyl-4-(propylamino)benzenesulfonamide?
The InChIKey is WTBKXFUXSGJNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-9-15-13-8-7-11(10-12(13)14)19(17,18)16(5-2)6-3/h7-8,10,15H,4-6,9,14H2,1-3H3.
What are the key properties of 3-amino-N,N-diethyl-4-(propylamino)benzenesulfonamide?
3-amino-N,N-diethyl-4-(propylamino)benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-diethyl-4-(propylamino)benzenesulfonamide is sourced from PubChem (CID 3810560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).