N-(4-methoxybutan-2-yl)-4-(propylaminomethyl)benzenesulfonamide

C15H26N2O3S — CID 64603458

IUPACN-(4-methoxybutan-2-yl)-4-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)NC(C)CCOC)cc1
InChIInChI=1S/C15H26N2O3S/c1-4-10-16-12-14-5-7-15(8-6-14)21(18,19)17-13(2)9-11-20-3/h5-8,13,16-17H,4,9-12H2,1-3H3
InChIKeyXHRIQDGWPVPJJW-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.89
Rot. Bonds10

About N-(4-methoxybutan-2-yl)-4-(propylaminomethyl)benzenesulfonamide

N-(4-methoxybutan-2-yl)-4-(propylaminomethyl)benzenesulfonamide (PubChem CID 64603458) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-4-(propylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-4-(propylaminomethyl)benzenesulfonamide
PubChem CID64603458
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-(4-methoxybutan-2-yl)-4-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)NC(C)CCOC)cc1
InChIInChI=1S/C15H26N2O3S/c1-4-10-16-12-14-5-7-15(8-6-14)21(18,19)17-13(2)9-11-20-3/h5-8,13,16-17H,4,9-12H2,1-3H3
InChIKeyXHRIQDGWPVPJJW-UHFFFAOYSA-N
XLogP1.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-methoxybutan-2-yl)-4-(propylaminomethyl)benzenesulfonamide 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

4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide
CID 62199697
N-pentan-2-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106046653
N-(4-methoxybutan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106067648
4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 51183649
N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106067461
4-ethyl-N-pentan-2-ylbenzenesulfonamide
CID 19681870
N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64605936
4-amino-3-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64601232
6-amino-N-(4-methoxybutan-2-yl)pyridine-3-sulfonamide
CID 64602408
4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide
CID 106046618
4-chloro-N-pentan-2-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106046336
N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide
CID 54921908

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-4-(propylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(4-methoxybutan-2-yl)-4-(propylaminomethyl)benzenesulfonamide (CID 64603458) is N-(4-methoxybutan-2-yl)-4-(propylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-4-(propylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(4-methoxybutan-2-yl)-4-(propylaminomethyl)benzenesulfonamide is CCCNCc1ccc(S(=O)(=O)NC(C)CCOC)cc1.
What is the InChIKey of N-(4-methoxybutan-2-yl)-4-(propylaminomethyl)benzenesulfonamide?
The InChIKey is XHRIQDGWPVPJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-10-16-12-14-5-7-15(8-6-14)21(18,19)17-13(2)9-11-20-3/h5-8,13,16-17H,4,9-12H2,1-3H3.
What are the key properties of N-(4-methoxybutan-2-yl)-4-(propylaminomethyl)benzenesulfonamide?
N-(4-methoxybutan-2-yl)-4-(propylaminomethyl)benzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-4-(propylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 64603458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).