3,5-diamino-4-(dipropylamino)benzenesulfonamide

C12H22N4O2S — CID 121474266

IUPAC3,5-diamino-4-(dipropylamino)benzenesulfonamide
SMILESCCCN(CCC)c1c(N)cc(S(N)(=O)=O)cc1N
InChIInChI=1S/C12H22N4O2S/c1-3-5-16(6-4-2)12-10(13)7-9(8-11(12)14)19(15,17)18/h7-8H,3-6,13-14H2,1-2H3,(H2,15,17,18)
InChIKeyZALZQKJFBNJCBS-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.12
Rot. Bonds6

About 3,5-diamino-4-(dipropylamino)benzenesulfonamide

3,5-diamino-4-(dipropylamino)benzenesulfonamide (PubChem CID 121474266) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3,5-diamino-4-(dipropylamino)benzenesulfonamide.

Molecular Properties

Compound Name3,5-diamino-4-(dipropylamino)benzenesulfonamide
PubChem CID121474266
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name3,5-diamino-4-(dipropylamino)benzenesulfonamide
SMILESCCCN(CCC)c1c(N)cc(S(N)(=O)=O)cc1N
InChIInChI=1S/C12H22N4O2S/c1-3-5-16(6-4-2)12-10(13)7-9(8-11(12)14)19(15,17)18/h7-8H,3-6,13-14H2,1-2H3,(H2,15,17,18)
InChIKeyZALZQKJFBNJCBS-UHFFFAOYSA-N
XLogP1.12
TPSA115.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-4-(dipropylamino)benzenesulfonamide?
The IUPAC name of 3,5-diamino-4-(dipropylamino)benzenesulfonamide (CID 121474266) is 3,5-diamino-4-(dipropylamino)benzenesulfonamide.
What is the SMILES notation for 3,5-diamino-4-(dipropylamino)benzenesulfonamide?
The canonical SMILES for 3,5-diamino-4-(dipropylamino)benzenesulfonamide is CCCN(CCC)c1c(N)cc(S(N)(=O)=O)cc1N.
What is the InChIKey of 3,5-diamino-4-(dipropylamino)benzenesulfonamide?
The InChIKey is ZALZQKJFBNJCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-5-16(6-4-2)12-10(13)7-9(8-11(12)14)19(15,17)18/h7-8H,3-6,13-14H2,1-2H3,(H2,15,17,18).
What are the key properties of 3,5-diamino-4-(dipropylamino)benzenesulfonamide?
3,5-diamino-4-(dipropylamino)benzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-4-(dipropylamino)benzenesulfonamide is sourced from PubChem (CID 121474266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).