4-(butylamino)-N-propan-2-ylbenzenesulfonamide

C13H22N2O2S — CID 43383407

IUPAC4-(butylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCCCCNc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C13H22N2O2S/c1-4-5-10-14-12-6-8-13(9-7-12)18(16,17)15-11(2)3/h6-9,11,14-15H,4-5,10H2,1-3H3
InChIKeyLSVMRAQNQJZYAW-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.59
Rot. Bonds7

About 4-(butylamino)-N-propan-2-ylbenzenesulfonamide

4-(butylamino)-N-propan-2-ylbenzenesulfonamide (PubChem CID 43383407) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-(butylamino)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(butylamino)-N-propan-2-ylbenzenesulfonamide
PubChem CID43383407
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name4-(butylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCCCCNc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C13H22N2O2S/c1-4-5-10-14-12-6-8-13(9-7-12)18(16,17)15-11(2)3/h6-9,11,14-15H,4-5,10H2,1-3H3
InChIKeyLSVMRAQNQJZYAW-UHFFFAOYSA-N
XLogP2.59
TPSA58.20 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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide
CID 106842517
4-(4-aminobutylamino)-N-propan-2-ylbenzenesulfonamide
CID 60895600
N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112980319
4-(2-aminopropylamino)-N-propan-2-ylbenzenesulfonamide
CID 63731923
N-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide
CID 112980277
4-(but-3-enylamino)-N-propan-2-ylbenzenesulfonamide
CID 115644267
4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454141
N-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide
CID 63837919
4-(ethylamino)-N-hexan-2-ylbenzenesulfonamide
CID 62200099
4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide
CID 60656130
N-butyl-4-propylsulfonylaniline
CID 43453437
2-(butylamino)-5-(propan-2-ylsulfamoyl)benzoic acid
CID 99981727

Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(butylamino)-N-propan-2-ylbenzenesulfonamide (CID 43383407) is 4-(butylamino)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(butylamino)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(butylamino)-N-propan-2-ylbenzenesulfonamide is CCCCNc1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 4-(butylamino)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is LSVMRAQNQJZYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-5-10-14-12-6-8-13(9-7-12)18(16,17)15-11(2)3/h6-9,11,14-15H,4-5,10H2,1-3H3.
What are the key properties of 4-(butylamino)-N-propan-2-ylbenzenesulfonamide?
4-(butylamino)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43383407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).