4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzenesulfonamide

C13H22N2O4S — CID 81438560

IUPAC4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzenesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C13H22N2O4S/c1-5-15(9-13(2,3)16)20(17,18)10-6-7-11(14)12(8-10)19-4/h6-8,16H,5,9,14H2,1-4H3
InChIKeyNFGJUJIBYZWXRG-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.06
Rot. Bonds6

About 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzenesulfonamide

4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzenesulfonamide (PubChem CID 81438560) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzenesulfonamide
PubChem CID81438560
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzenesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C13H22N2O4S/c1-5-15(9-13(2,3)16)20(17,18)10-6-7-11(14)12(8-10)19-4/h6-8,16H,5,9,14H2,1-4H3
InChIKeyNFGJUJIBYZWXRG-UHFFFAOYSA-N
XLogP1.06
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,4-diethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79382428
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 79377211
4-amino-N-(cyclopropylmethyl)-N-ethyl-3-methoxybenzenesulfonamide
CID 81438555
3-amino-N-(2-hydroxy-2-methylpropyl)-4-methoxy-N-methylbenzenesulfonamide
CID 79382417
methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 79378667
4-amino-N-butan-2-yl-N-ethyl-3-methoxybenzenesulfonamide
CID 81438339
4-amino-N,N-bis(2-cyanoethyl)-3-methoxybenzenesulfonamide
CID 81440816
4-amino-N-(1-hydroxypropan-2-yl)-3-methoxy-N-methylbenzenesulfonamide
CID 104551002
methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 79378658
2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79380463
4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzenecarbothioamide
CID 79376789
4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide
CID 850059

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzenesulfonamide (CID 81438560) is 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzenesulfonamide is CCN(CC(C)(C)O)S(=O)(=O)c1ccc(N)c(OC)c1.
What is the InChIKey of 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzenesulfonamide?
The InChIKey is NFGJUJIBYZWXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-5-15(9-13(2,3)16)20(17,18)10-6-7-11(14)12(8-10)19-4/h6-8,16H,5,9,14H2,1-4H3.
What are the key properties of 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzenesulfonamide?
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 81438560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).