N-(3-amino-4-methoxyphenyl)methanesulfonamide

C8H12N2O3S — CID 10560665

IUPACN-(3-amino-4-methoxyphenyl)methanesulfonamide
SMILESCOc1ccc(NS(C)(=O)=O)cc1N
InChIInChI=1S/C8H12N2O3S/c1-13-8-4-3-6(5-7(8)9)10-14(2,11)12/h3-5,10H,9H2,1-2H3
InChIKeyYUVZFOYHRAKAJX-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.65
Rot. Bonds3

About N-(3-amino-4-methoxyphenyl)methanesulfonamide

N-(3-amino-4-methoxyphenyl)methanesulfonamide (PubChem CID 10560665) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)methanesulfonamide
PubChem CID10560665
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC NameN-(3-amino-4-methoxyphenyl)methanesulfonamide
SMILESCOc1ccc(NS(C)(=O)=O)cc1N
InChIInChI=1S/C8H12N2O3S/c1-13-8-4-3-6(5-7(8)9)10-14(2,11)12/h3-5,10H,9H2,1-2H3
InChIKeyYUVZFOYHRAKAJX-UHFFFAOYSA-N
XLogP0.65
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide
CID 43604638
N-(3-amino-4-methoxyphenyl)-3-methoxypropane-1-sulfonamide
CID 63288254
N-(3-acetyl-4-methoxyphenyl)methanesulfonamide
CID 18615187
N-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide
CID 21097532
N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-3-sulfonamide
CID 43604632
N-(3-amino-4-methoxyphenyl)-1-(4-fluorophenyl)methanesulfonamide
CID 43604676
N-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide
CID 60824367
N-(4-amino-2,5-dimethoxyphenyl)methanesulfonamide
CID 57266401
N-(3-amino-4-methoxyphenyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 43604677
N-(3-amino-4-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride
CID 119419084
4-methoxy-1-N-propan-2-ylbenzene-1,3-diamine
CID 79678450
[5-(methanesulfonamido)-2-methoxyphenyl] 3-aminopropanoate
CID 70612631

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)methanesulfonamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)methanesulfonamide (CID 10560665) is N-(3-amino-4-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)methanesulfonamide is COc1ccc(NS(C)(=O)=O)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)methanesulfonamide?
The InChIKey is YUVZFOYHRAKAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-13-8-4-3-6(5-7(8)9)10-14(2,11)12/h3-5,10H,9H2,1-2H3.
What are the key properties of N-(3-amino-4-methoxyphenyl)methanesulfonamide?
N-(3-amino-4-methoxyphenyl)methanesulfonamide has a molecular weight of 216.26 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 10560665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).