4-amino-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide

C13H16N2O4S2 — CID 63362655

IUPAC4-amino-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(N)cs2)c(OC)c1
InChIInChI=1S/C13H16N2O4S2/c1-18-11-4-3-9(12(6-11)19-2)7-15-21(16,17)13-5-10(14)8-20-13/h3-6,8,15H,7,14H2,1-2H3
InChIKeyQAHRXBFOWFBOJZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.83
Rot. Bonds6

About 4-amino-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide

4-amino-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 63362655) has the molecular formula C13H16N2O4S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-amino-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide
PubChem CID63362655
Molecular FormulaC13H16N2O4S2
Molecular Weight328.42 g/mol
Exact Mass328.06
IUPAC Name4-amino-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(N)cs2)c(OC)c1
InChIInChI=1S/C13H16N2O4S2/c1-18-11-4-3-9(12(6-11)19-2)7-15-21(16,17)13-5-10(14)8-20-13/h3-6,8,15H,7,14H2,1-2H3
InChIKeyQAHRXBFOWFBOJZ-UHFFFAOYSA-N
XLogP1.83
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
N-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 4657729
4-amino-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 107843596
2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide
CID 5157003
4-amino-N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide
CID 61299183
N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 110780745
4-amino-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 62990765
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 94639909
N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110780736
N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110601518
4-amino-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-sulfonamide
CID 114698293
N-[(2,4-dimethoxyphenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 54905855

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide (CID 63362655) is 4-amino-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide is COc1ccc(CNS(=O)(=O)c2cc(N)cs2)c(OC)c1.
What is the InChIKey of 4-amino-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is QAHRXBFOWFBOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S2/c1-18-11-4-3-9(12(6-11)19-2)7-15-21(16,17)13-5-10(14)8-20-13/h3-6,8,15H,7,14H2,1-2H3.
What are the key properties of 4-amino-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide?
4-amino-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 328.42 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 63362655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).