N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide

C10H16N2O3S — CID 43604998

IUPACN-(4-amino-3-methoxyphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(N)c(OC)c1
InChIInChI=1S/C10H16N2O3S/c1-3-6-16(13,14)12-8-4-5-9(11)10(7-8)15-2/h4-5,7,12H,3,6,11H2,1-2H3
InChIKeyOHEWVIXOGNFAHH-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.43
Rot. Bonds5

About N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide

N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide (PubChem CID 43604998) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-methoxyphenyl)propane-1-sulfonamide
PubChem CID43604998
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC NameN-(4-amino-3-methoxyphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(N)c(OC)c1
InChIInChI=1S/C10H16N2O3S/c1-3-6-16(13,14)12-8-4-5-9(11)10(7-8)15-2/h4-5,7,12H,3,6,11H2,1-2H3
InChIKeyOHEWVIXOGNFAHH-UHFFFAOYSA-N
XLogP1.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.43
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-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide
CID 107623369
N-(4-amino-3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43605050
2-methoxy-4-propylsulfonylaniline
CID 15153318
2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide
CID 114839213
N-(3-amino-4-methoxyphenyl)-3-methoxypropane-1-sulfonamide
CID 63288254
2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine
CID 114815986
N-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide
CID 55009496
2-chloro-N-(4-ethoxy-3-methoxyphenyl)ethanesulfonamide
CID 107650750
4-chloro-N-(3,4-dimethoxyphenyl)butane-1-sulfonamide
CID 116814830
N-(4-amino-3-methoxyphenyl)-1-methylpyrrole-3-sulfonamide
CID 43604994
4-amino-N-(4-ethylphenyl)-3-methoxybenzenesulfonamide
CID 81441768
N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide
CID 112987552

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide?
The IUPAC name of N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide (CID 43604998) is N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide?
The canonical SMILES for N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(N)c(OC)c1.
What is the InChIKey of N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide?
The InChIKey is OHEWVIXOGNFAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-3-6-16(13,14)12-8-4-5-9(11)10(7-8)15-2/h4-5,7,12H,3,6,11H2,1-2H3.
What are the key properties of N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide?
N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide has a molecular weight of 244.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide is sourced from PubChem (CID 43604998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).