2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methoxybenzenesulfonamide

C14H24N2O4S — CID 106250052

IUPAC2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methoxybenzenesulfonamide
SMILESCCC(CC)(CO)CNS(=O)(=O)c1ccc(OC)cc1N
InChIInChI=1S/C14H24N2O4S/c1-4-14(5-2,10-17)9-16-21(18,19)13-7-6-11(20-3)8-12(13)15/h6-8,16-17H,4-5,9-10,15H2,1-3H3
InChIKeyADSCOHLQKSZUHC-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.35
Rot. Bonds8

About 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methoxybenzenesulfonamide

2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methoxybenzenesulfonamide (PubChem CID 106250052) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methoxybenzenesulfonamide
PubChem CID106250052
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methoxybenzenesulfonamide
SMILESCCC(CC)(CO)CNS(=O)(=O)c1ccc(OC)cc1N
InChIInChI=1S/C14H24N2O4S/c1-4-14(5-2,10-17)9-16-21(18,19)13-7-6-11(20-3)8-12(13)15/h6-8,16-17H,4-5,9-10,15H2,1-3H3
InChIKeyADSCOHLQKSZUHC-UHFFFAOYSA-N
XLogP1.35
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2,2-dimethylbutyl)-4-methoxybenzenesulfonamide
CID 103460076
2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzenesulfonamide
CID 62524804
2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 43345862
2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide
CID 115454045
2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide
CID 93081199
5-amino-4-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbenzenesulfonamide
CID 106249898
2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29273537
2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914928
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide
CID 103844815
2-amino-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113466241
2-amino-4-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 115597756
N-(3-hydroxy-2,2-dimethylpropyl)-2,5-dimethoxybenzenesulfonamide
CID 3771736

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methoxybenzenesulfonamide (CID 106250052) is 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methoxybenzenesulfonamide is CCC(CC)(CO)CNS(=O)(=O)c1ccc(OC)cc1N.
What is the InChIKey of 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methoxybenzenesulfonamide?
The InChIKey is ADSCOHLQKSZUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-4-14(5-2,10-17)9-16-21(18,19)13-7-6-11(20-3)8-12(13)15/h6-8,16-17H,4-5,9-10,15H2,1-3H3.
What are the key properties of 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methoxybenzenesulfonamide?
2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methoxybenzenesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 106250052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).