N-(2-amino-4,5-dimethoxyphenyl)-3,3-dimethylbutane-1-sulfonamide

C14H24N2O4S — CID 103520845

IUPACN-(2-amino-4,5-dimethoxyphenyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCOc1cc(N)c(NS(=O)(=O)CCC(C)(C)C)cc1OC
InChIInChI=1S/C14H24N2O4S/c1-14(2,3)6-7-21(17,18)16-11-9-13(20-5)12(19-4)8-10(11)15/h8-9,16H,6-7,15H2,1-5H3
InChIKeyYJSDZLRDDJIVQZ-UHFFFAOYSA-N
MW316.42 g/mol
LogP2.46
Rot. Bonds6

About N-(2-amino-4,5-dimethoxyphenyl)-3,3-dimethylbutane-1-sulfonamide

N-(2-amino-4,5-dimethoxyphenyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103520845) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethoxyphenyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethoxyphenyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID103520845
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC NameN-(2-amino-4,5-dimethoxyphenyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCOc1cc(N)c(NS(=O)(=O)CCC(C)(C)C)cc1OC
InChIInChI=1S/C14H24N2O4S/c1-14(2,3)6-7-21(17,18)16-11-9-13(20-5)12(19-4)8-10(11)15/h8-9,16H,6-7,15H2,1-5H3
InChIKeyYJSDZLRDDJIVQZ-UHFFFAOYSA-N
XLogP2.46
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.46
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

N-(2-amino-4,5-dimethoxyphenyl)-1-methylsulfonylmethanesulfonamide
CID 82838671
N-(4-amino-2,5-dimethylphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520904
N-(4-cyano-2-methoxyphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521156
4,5-dimethoxy-2-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine
CID 83008502
N-(2-amino-4,5-dimethoxyphenyl)propane-2-sulfonamide
CID 60859772
N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide
CID 43550840
2-(2-amino-4,5-dimethoxyanilino)acetamide
CID 83001750
methyl 2-(2-amino-4,5-dimethoxyanilino)acetate
CID 83001432
3-(2-amino-4,5-dimethoxyanilino)-2,2-dimethylpropanamide
CID 106275255
N-(4-amino-2,5-dimethoxyphenyl)methanesulfonamide
CID 57266401
N-(2-amino-6-methylphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520816
N-(2-iodophenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103727880

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-3,3-dimethylbutane-1-sulfonamide (CID 103520845) is N-(2-amino-4,5-dimethoxyphenyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-amino-4,5-dimethoxyphenyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(2-amino-4,5-dimethoxyphenyl)-3,3-dimethylbutane-1-sulfonamide is COc1cc(N)c(NS(=O)(=O)CCC(C)(C)C)cc1OC.
What is the InChIKey of N-(2-amino-4,5-dimethoxyphenyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is YJSDZLRDDJIVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-14(2,3)6-7-21(17,18)16-11-9-13(20-5)12(19-4)8-10(11)15/h8-9,16H,6-7,15H2,1-5H3.
What are the key properties of N-(2-amino-4,5-dimethoxyphenyl)-3,3-dimethylbutane-1-sulfonamide?
N-(2-amino-4,5-dimethoxyphenyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 316.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethoxyphenyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103520845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).