4-amino-3-[cyclopropyl(ethyl)amino]benzenesulfonamide

C11H17N3O2S — CID 82907914

IUPAC4-amino-3-[cyclopropyl(ethyl)amino]benzenesulfonamide
SMILESCCN(c1cc(S(N)(=O)=O)ccc1N)C1CC1
InChIInChI=1S/C11H17N3O2S/c1-2-14(8-3-4-8)11-7-9(17(13,15)16)5-6-10(11)12/h5-8H,2-4,12H2,1H3,(H2,13,15,16)
InChIKeyGNCCKQMUJSXNDS-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.90
Rot. Bonds4

About 4-amino-3-[cyclopropyl(ethyl)amino]benzenesulfonamide

4-amino-3-[cyclopropyl(ethyl)amino]benzenesulfonamide (PubChem CID 82907914) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-amino-3-[cyclopropyl(ethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[cyclopropyl(ethyl)amino]benzenesulfonamide
PubChem CID82907914
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-amino-3-[cyclopropyl(ethyl)amino]benzenesulfonamide
SMILESCCN(c1cc(S(N)(=O)=O)ccc1N)C1CC1
InChIInChI=1S/C11H17N3O2S/c1-2-14(8-3-4-8)11-7-9(17(13,15)16)5-6-10(11)12/h5-8H,2-4,12H2,1H3,(H2,13,15,16)
InChIKeyGNCCKQMUJSXNDS-UHFFFAOYSA-N
XLogP0.90
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.90
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 4-amino-3-[cyclopropyl(ethyl)amino]benzenesulfonamide?
The IUPAC name of 4-amino-3-[cyclopropyl(ethyl)amino]benzenesulfonamide (CID 82907914) is 4-amino-3-[cyclopropyl(ethyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[cyclopropyl(ethyl)amino]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[cyclopropyl(ethyl)amino]benzenesulfonamide is CCN(c1cc(S(N)(=O)=O)ccc1N)C1CC1.
What is the InChIKey of 4-amino-3-[cyclopropyl(ethyl)amino]benzenesulfonamide?
The InChIKey is GNCCKQMUJSXNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-14(8-3-4-8)11-7-9(17(13,15)16)5-6-10(11)12/h5-8H,2-4,12H2,1H3,(H2,13,15,16).
What are the key properties of 4-amino-3-[cyclopropyl(ethyl)amino]benzenesulfonamide?
4-amino-3-[cyclopropyl(ethyl)amino]benzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[cyclopropyl(ethyl)amino]benzenesulfonamide is sourced from PubChem (CID 82907914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).