2-methoxy-4-propylsulfonylaniline

C10H15NO3S — CID 15153318

IUPAC2-methoxy-4-propylsulfonylaniline
SMILESCCCS(=O)(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C10H15NO3S/c1-3-6-15(12,13)8-4-5-9(11)10(7-8)14-2/h4-5,7H,3,6,11H2,1-2H3
InChIKeySXMDPCXBBNDHLM-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.46
Rot. Bonds4

About 2-methoxy-4-propylsulfonylaniline

2-methoxy-4-propylsulfonylaniline (PubChem CID 15153318) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-methoxy-4-propylsulfonylaniline.

Molecular Properties

Compound Name2-methoxy-4-propylsulfonylaniline
PubChem CID15153318
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name2-methoxy-4-propylsulfonylaniline
SMILESCCCS(=O)(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C10H15NO3S/c1-3-6-15(12,13)8-4-5-9(11)10(7-8)14-2/h4-5,7H,3,6,11H2,1-2H3
InChIKeySXMDPCXBBNDHLM-UHFFFAOYSA-N
XLogP1.46
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-3-methoxyphenyl)sulfonylacetic acid
CID 15217444
N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide
CID 43604998
4-ethylsulfonyl-2-propoxyaniline
CID 63670906
4-amino-N-but-3-ynyl-3-methoxybenzenesulfonamide
CID 81438222
4-amino-3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 114464967
4-amino-N-(2-hydroxy-2-methylpentyl)-3-methoxybenzenesulfonamide
CID 106289688
4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 81437876
4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438601
4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide
CID 107819726
4-(4-chlorophenyl)sulfonyl-2-methoxyaniline
CID 164687562
4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide
CID 106333246
4-amino-N-butan-2-yl-N-ethyl-3-methoxybenzenesulfonamide
CID 81438339

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-propylsulfonylaniline?
The IUPAC name of 2-methoxy-4-propylsulfonylaniline (CID 15153318) is 2-methoxy-4-propylsulfonylaniline.
What is the SMILES notation for 2-methoxy-4-propylsulfonylaniline?
The canonical SMILES for 2-methoxy-4-propylsulfonylaniline is CCCS(=O)(=O)c1ccc(N)c(OC)c1.
What is the InChIKey of 2-methoxy-4-propylsulfonylaniline?
The InChIKey is SXMDPCXBBNDHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-3-6-15(12,13)8-4-5-9(11)10(7-8)14-2/h4-5,7H,3,6,11H2,1-2H3.
What are the key properties of 2-methoxy-4-propylsulfonylaniline?
2-methoxy-4-propylsulfonylaniline has a molecular weight of 229.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-propylsulfonylaniline is sourced from PubChem (CID 15153318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).