2-amino-4-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

C12H18N2O3S — CID 115597756

IUPAC2-amino-4-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CC2C)c(N)c1
InChIInChI=1S/C12H18N2O3S/c1-8-5-9(8)7-14-18(15,16)12-4-3-10(17-2)6-11(12)13/h3-4,6,8-9,14H,5,7,13H2,1-2H3
InChIKeyMCKIBCREVJVDEI-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.21
Rot. Bonds5

About 2-amino-4-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

2-amino-4-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 115597756) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
PubChem CID115597756
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-amino-4-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CC2C)c(N)c1
InChIInChI=1S/C12H18N2O3S/c1-8-5-9(8)7-14-18(15,16)12-4-3-10(17-2)6-11(12)13/h3-4,6,8-9,14H,5,7,13H2,1-2H3
InChIKeyMCKIBCREVJVDEI-UHFFFAOYSA-N
XLogP1.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 113463613
2-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzenesulfonamide
CID 106119187
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 62975887
2-amino-N-(2,2-dimethylbutyl)-4-methoxybenzenesulfonamide
CID 103460076
2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 43345862
3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 107343819
2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide
CID 115454045
4-(hydroxymethyl)-2-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 102704119
2-amino-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113466241
2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29273537
2-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methoxyaniline
CID 79188219
2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914928

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 2-amino-4-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (CID 115597756) is 2-amino-4-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CC2C)c(N)c1.
What is the InChIKey of 2-amino-4-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is MCKIBCREVJVDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8-5-9(8)7-14-18(15,16)12-4-3-10(17-2)6-11(12)13/h3-4,6,8-9,14H,5,7,13H2,1-2H3.
What are the key properties of 2-amino-4-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
2-amino-4-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 115597756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).