4-amino-N-(4-propan-2-ylphenyl)butane-1-sulfonamide

C13H22N2O2S — CID 54952609

IUPAC4-amino-N-(4-propan-2-ylphenyl)butane-1-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)CCCCN)cc1
InChIInChI=1S/C13H22N2O2S/c1-11(2)12-5-7-13(8-6-12)15-18(16,17)10-4-3-9-14/h5-8,11,15H,3-4,9-10,14H2,1-2H3
InChIKeyCNRWJAZAQVIYND-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.29
Rot. Bonds7

About 4-amino-N-(4-propan-2-ylphenyl)butane-1-sulfonamide

4-amino-N-(4-propan-2-ylphenyl)butane-1-sulfonamide (PubChem CID 54952609) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-amino-N-(4-propan-2-ylphenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(4-propan-2-ylphenyl)butane-1-sulfonamide
PubChem CID54952609
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name4-amino-N-(4-propan-2-ylphenyl)butane-1-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)CCCCN)cc1
InChIInChI=1S/C13H22N2O2S/c1-11(2)12-5-7-13(8-6-12)15-18(16,17)10-4-3-9-14/h5-8,11,15H,3-4,9-10,14H2,1-2H3
InChIKeyCNRWJAZAQVIYND-UHFFFAOYSA-N
XLogP2.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-(4-propan-2-ylphenyl)butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(4-propan-2-ylphenyl)sulfamoyl]butanoate
CID 61460718
4-amino-N-(4-propoxyphenyl)butane-1-sulfonamide
CID 55060020
N-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide
CID 112986651
N-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide
CID 30120117
N-[4-(1-aminoethyl)phenyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83068409
N'-(4-propan-2-ylphenyl)hexane-1,6-diamine
CID 83952205
3-amino-N-(3,4-dichlorophenyl)propane-1-sulfonamide
CID 60910481
3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide
CID 60909550
N-(4-butan-2-ylphenyl)-3-chloropropane-1-sulfonamide
CID 54877159
4-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)butane-1-sulfonamide
CID 61456164
4-amino-N-(3-ethylphenyl)butane-1-sulfonamide
CID 54952501
N-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106060812

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-propan-2-ylphenyl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-(4-propan-2-ylphenyl)butane-1-sulfonamide (CID 54952609) is 4-amino-N-(4-propan-2-ylphenyl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(4-propan-2-ylphenyl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-(4-propan-2-ylphenyl)butane-1-sulfonamide is CC(C)c1ccc(NS(=O)(=O)CCCCN)cc1.
What is the InChIKey of 4-amino-N-(4-propan-2-ylphenyl)butane-1-sulfonamide?
The InChIKey is CNRWJAZAQVIYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-11(2)12-5-7-13(8-6-12)15-18(16,17)10-4-3-9-14/h5-8,11,15H,3-4,9-10,14H2,1-2H3.
What are the key properties of 4-amino-N-(4-propan-2-ylphenyl)butane-1-sulfonamide?
4-amino-N-(4-propan-2-ylphenyl)butane-1-sulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-propan-2-ylphenyl)butane-1-sulfonamide is sourced from PubChem (CID 54952609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).