N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide

C14H16N2O4S — CID 43550840

IUPACN-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide
SMILESCOc1cc(N)c(NS(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C14H16N2O4S/c1-19-13-8-11(15)12(9-14(13)20-2)16-21(17,18)10-6-4-3-5-7-10/h3-9,16H,15H2,1-2H3
InChIKeyAFKYSIIWLQBFIE-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.09
Rot. Bonds5

About N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide

N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide (PubChem CID 43550840) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide
PubChem CID43550840
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide
SMILESCOc1cc(N)c(NS(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C14H16N2O4S/c1-19-13-8-11(15)12(9-14(13)20-2)16-21(17,18)10-6-4-3-5-7-10/h3-9,16H,15H2,1-2H3
InChIKeyAFKYSIIWLQBFIE-UHFFFAOYSA-N
XLogP2.09
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.09
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-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
N-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 62063840
N-(4-amino-2,5-dimethylphenyl)benzenesulfonamide
CID 827506
N-(2-amino-4-fluorophenyl)benzenesulfonamide
CID 16778352
4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
methyl 3-(benzenesulfonamido)-4-methoxybenzoate
CID 3804370
N-(2-amino-4-ethoxyphenyl)benzenesulfonamide
CID 91687393
3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28544416
N-(2-amino-4,5-dimethoxyphenyl)propane-2-sulfonamide
CID 60859772
N-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 23217148
4-amino-3-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 82843777

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide?
The IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide (CID 43550840) is N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide is COc1cc(N)c(NS(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide?
The InChIKey is AFKYSIIWLQBFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-19-13-8-11(15)12(9-14(13)20-2)16-21(17,18)10-6-4-3-5-7-10/h3-9,16H,15H2,1-2H3.
What are the key properties of N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide?
N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide has a molecular weight of 308.36 g/mol, XLogP of 2.09, 5 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)benzenesulfonamide is sourced from PubChem (CID 43550840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).