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

C9H14N2O4S — CID 57266401

IUPACN-(4-amino-2,5-dimethoxyphenyl)methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)c(OC)cc1N
InChIInChI=1S/C9H14N2O4S/c1-14-8-5-7(11-16(3,12)13)9(15-2)4-6(8)10/h4-5,11H,10H2,1-3H3
InChIKeyZALRSLMBNQREOA-UHFFFAOYSA-N
MW246.29 g/mol
LogP0.66
Rot. Bonds4

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

N-(4-amino-2,5-dimethoxyphenyl)methanesulfonamide (PubChem CID 57266401) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethoxyphenyl)methanesulfonamide
PubChem CID57266401
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC NameN-(4-amino-2,5-dimethoxyphenyl)methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)c(OC)cc1N
InChIInChI=1S/C9H14N2O4S/c1-14-8-5-7(11-16(3,12)13)9(15-2)4-6(8)10/h4-5,11H,10H2,1-3H3
InChIKeyZALRSLMBNQREOA-UHFFFAOYSA-N
XLogP0.66
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 50.66
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-(3-amino-4-methoxyphenyl)methanesulfonamide
CID 10560665
N-(2-amino-4,5-dimethoxyphenyl)-1-methylsulfonylmethanesulfonamide
CID 82838671
N-(2-acetyl-4,5-dimethoxyphenyl)methanesulfonamide
CID 70115907
2,5-dimethoxy-1-N-propylbenzene-1,4-diamine
CID 610932
N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide
CID 22434010
N-(2-amino-4,5-dimethoxyphenyl)propane-2-sulfonamide
CID 60859772
N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)methanesulfonamide
CID 59831493
N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide
CID 43550840
methyl 3-(methanesulfonamido)-4-methoxybenzoate
CID 5303011
4,5-dimethoxy-2-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine
CID 83008502
2-acetamido-5-amino-4-methoxybenzenesulfonic acid
CID 154133379
4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide
CID 106333246

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethoxyphenyl)methanesulfonamide?
The IUPAC name of N-(4-amino-2,5-dimethoxyphenyl)methanesulfonamide (CID 57266401) is N-(4-amino-2,5-dimethoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-amino-2,5-dimethoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(4-amino-2,5-dimethoxyphenyl)methanesulfonamide is COc1cc(NS(C)(=O)=O)c(OC)cc1N.
What is the InChIKey of N-(4-amino-2,5-dimethoxyphenyl)methanesulfonamide?
The InChIKey is ZALRSLMBNQREOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-14-8-5-7(11-16(3,12)13)9(15-2)4-6(8)10/h4-5,11H,10H2,1-3H3.
What are the key properties of N-(4-amino-2,5-dimethoxyphenyl)methanesulfonamide?
N-(4-amino-2,5-dimethoxyphenyl)methanesulfonamide has a molecular weight of 246.29 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,5-dimethoxyphenyl)methanesulfonamide is sourced from PubChem (CID 57266401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).