4-amino-N,N-bis(prop-2-enyl)benzenesulfonamide

C12H16N2O2S — CID 2151848

IUPAC4-amino-N,N-bis(prop-2-enyl)benzenesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H16N2O2S/c1-3-9-14(10-4-2)17(15,16)12-7-5-11(13)6-8-12/h3-8H,1-2,9-10,13H2
InChIKeyAXARZLMYPYOPDX-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.63
Rot. Bonds6

About 4-amino-N,N-bis(prop-2-enyl)benzenesulfonamide

4-amino-N,N-bis(prop-2-enyl)benzenesulfonamide (PubChem CID 2151848) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-amino-N,N-bis(prop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N,N-bis(prop-2-enyl)benzenesulfonamide
PubChem CID2151848
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name4-amino-N,N-bis(prop-2-enyl)benzenesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H16N2O2S/c1-3-9-14(10-4-2)17(15,16)12-7-5-11(13)6-8-12/h3-8H,1-2,9-10,13H2
InChIKeyAXARZLMYPYOPDX-UHFFFAOYSA-N
XLogP1.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-bis(prop-2-enyl)benzenesulfonamide?
The IUPAC name of 4-amino-N,N-bis(prop-2-enyl)benzenesulfonamide (CID 2151848) is 4-amino-N,N-bis(prop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N,N-bis(prop-2-enyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N,N-bis(prop-2-enyl)benzenesulfonamide is C=CCN(CC=C)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N,N-bis(prop-2-enyl)benzenesulfonamide?
The InChIKey is AXARZLMYPYOPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-3-9-14(10-4-2)17(15,16)12-7-5-11(13)6-8-12/h3-8H,1-2,9-10,13H2.
What are the key properties of 4-amino-N,N-bis(prop-2-enyl)benzenesulfonamide?
4-amino-N,N-bis(prop-2-enyl)benzenesulfonamide has a molecular weight of 252.34 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-bis(prop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 2151848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).