4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide

C15H26N2O3S — CID 106046618

IUPAC4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(CNCC)cc1OC
InChIInChI=1S/C15H26N2O3S/c1-5-7-12(3)17-21(18,19)15-9-8-13(11-16-6-2)10-14(15)20-4/h8-10,12,16-17H,5-7,11H2,1-4H3
InChIKeyBJHRQZBCMGSHOR-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.27
Rot. Bonds9

About 4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide

4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide (PubChem CID 106046618) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide
PubChem CID106046618
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(CNCC)cc1OC
InChIInChI=1S/C15H26N2O3S/c1-5-7-12(3)17-21(18,19)15-9-8-13(11-16-6-2)10-14(15)20-4/h8-10,12,16-17H,5-7,11H2,1-4H3
InChIKeyBJHRQZBCMGSHOR-UHFFFAOYSA-N
XLogP2.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102704782
4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide
CID 106074924
N-butan-2-yl-2-methoxy-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102704456
N-ethyl-4-(ethylaminomethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 102704364
N-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 106083434
2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2954841
4-(ethylaminomethyl)-2-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 106028813
5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510421
4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide
CID 106055431
4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide
CID 62199697
N-pentan-2-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106046653
4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 115477790

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide (CID 106046618) is 4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide is CCCC(C)NS(=O)(=O)c1ccc(CNCC)cc1OC.
What is the InChIKey of 4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide?
The InChIKey is BJHRQZBCMGSHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-5-7-12(3)17-21(18,19)15-9-8-13(11-16-6-2)10-14(15)20-4/h8-10,12,16-17H,5-7,11H2,1-4H3.
What are the key properties of 4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide?
4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 106046618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).