4-(but-3-enylamino)-N-propan-2-ylbenzenesulfonamide

C13H20N2O2S — CID 115644267

IUPAC4-(but-3-enylamino)-N-propan-2-ylbenzenesulfonamide
SMILESC=CCCNc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C13H20N2O2S/c1-4-5-10-14-12-6-8-13(9-7-12)18(16,17)15-11(2)3/h4,6-9,11,14-15H,1,5,10H2,2-3H3
InChIKeyLUYZQXMBJUCCKX-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.36
Rot. Bonds7

About 4-(but-3-enylamino)-N-propan-2-ylbenzenesulfonamide

4-(but-3-enylamino)-N-propan-2-ylbenzenesulfonamide (PubChem CID 115644267) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-(but-3-enylamino)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(but-3-enylamino)-N-propan-2-ylbenzenesulfonamide
PubChem CID115644267
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-(but-3-enylamino)-N-propan-2-ylbenzenesulfonamide
SMILESC=CCCNc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C13H20N2O2S/c1-4-5-10-14-12-6-8-13(9-7-12)18(16,17)15-11(2)3/h4,6-9,11,14-15H,1,5,10H2,2-3H3
InChIKeyLUYZQXMBJUCCKX-UHFFFAOYSA-N
XLogP2.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(butylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383407
4-(4-aminobutylamino)-N-propan-2-ylbenzenesulfonamide
CID 60895600
4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide
CID 106842517
4-(2-aminopropylamino)-N-propan-2-ylbenzenesulfonamide
CID 63731923
4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide
CID 60656130
4-(propan-2-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958107
4-[(2-amino-4-methylpentyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 107159243
N-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide
CID 63837919
N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide
CID 102308151
4-(1-aminopropan-2-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 63732783
N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide
CID 4924725
4-[(1-amino-4-methylpentan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 63761398

Frequently Asked Questions

What is the IUPAC name of 4-(but-3-enylamino)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(but-3-enylamino)-N-propan-2-ylbenzenesulfonamide (CID 115644267) is 4-(but-3-enylamino)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(but-3-enylamino)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(but-3-enylamino)-N-propan-2-ylbenzenesulfonamide is C=CCCNc1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 4-(but-3-enylamino)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is LUYZQXMBJUCCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-4-5-10-14-12-6-8-13(9-7-12)18(16,17)15-11(2)3/h4,6-9,11,14-15H,1,5,10H2,2-3H3.
What are the key properties of 4-(but-3-enylamino)-N-propan-2-ylbenzenesulfonamide?
4-(but-3-enylamino)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(but-3-enylamino)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 115644267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).