5-amino-N-(2,3-dimethylbutyl)-2,4-dimethoxybenzenesulfonamide

C14H24N2O4S — CID 102946020

IUPAC5-amino-N-(2,3-dimethylbutyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)NCC(C)C(C)C)cc1N
InChIInChI=1S/C14H24N2O4S/c1-9(2)10(3)8-16-21(17,18)14-6-11(15)12(19-4)7-13(14)20-5/h6-7,9-10,16H,8,15H2,1-5H3
InChIKeyPRMQCIMJLIFVJV-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.86
Rot. Bonds7

About 5-amino-N-(2,3-dimethylbutyl)-2,4-dimethoxybenzenesulfonamide

5-amino-N-(2,3-dimethylbutyl)-2,4-dimethoxybenzenesulfonamide (PubChem CID 102946020) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 5-amino-N-(2,3-dimethylbutyl)-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,3-dimethylbutyl)-2,4-dimethoxybenzenesulfonamide
PubChem CID102946020
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name5-amino-N-(2,3-dimethylbutyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)NCC(C)C(C)C)cc1N
InChIInChI=1S/C14H24N2O4S/c1-9(2)10(3)8-16-21(17,18)14-6-11(15)12(19-4)7-13(14)20-5/h6-7,9-10,16H,8,15H2,1-5H3
InChIKeyPRMQCIMJLIFVJV-UHFFFAOYSA-N
XLogP1.86
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.86
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

5-amino-N-(2-hydroxypentyl)-2,4-dimethoxybenzenesulfonamide
CID 102946119
5-amino-2,4-dimethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 102945869
5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102694373
5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide
CID 102945974
5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106180466
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640
5-amino-N-but-3-yn-2-yl-2,4-dimethoxybenzenesulfonamide
CID 102946161
5-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethoxybenzenesulfonamide
CID 106165551
methyl 3-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213748
2-amino-4-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569599
2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide
CID 64568404
5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 102945870

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,3-dimethylbutyl)-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-(2,3-dimethylbutyl)-2,4-dimethoxybenzenesulfonamide (CID 102946020) is 5-amino-N-(2,3-dimethylbutyl)-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2,3-dimethylbutyl)-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2,3-dimethylbutyl)-2,4-dimethoxybenzenesulfonamide is COc1cc(OC)c(S(=O)(=O)NCC(C)C(C)C)cc1N.
What is the InChIKey of 5-amino-N-(2,3-dimethylbutyl)-2,4-dimethoxybenzenesulfonamide?
The InChIKey is PRMQCIMJLIFVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-9(2)10(3)8-16-21(17,18)14-6-11(15)12(19-4)7-13(14)20-5/h6-7,9-10,16H,8,15H2,1-5H3.
What are the key properties of 5-amino-N-(2,3-dimethylbutyl)-2,4-dimethoxybenzenesulfonamide?
5-amino-N-(2,3-dimethylbutyl)-2,4-dimethoxybenzenesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,3-dimethylbutyl)-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 102946020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).