N-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide

C11H17FN2O3S — CID 106086490

IUPACN-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)Nc1ccc(F)c(OC)c1
InChIInChI=1S/C11H17FN2O3S/c1-13-6-3-7-18(15,16)14-9-4-5-10(12)11(8-9)17-2/h4-5,8,13-14H,3,6-7H2,1-2H3
InChIKeyNYCSYLSNMHDXAH-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.19
Rot. Bonds7

About N-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide

N-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide (PubChem CID 106086490) has the molecular formula C11H17FN2O3S and a molecular weight of 276.33 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
PubChem CID106086490
Molecular FormulaC11H17FN2O3S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC NameN-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)Nc1ccc(F)c(OC)c1
InChIInChI=1S/C11H17FN2O3S/c1-13-6-3-7-18(15,16)14-9-4-5-10(12)11(8-9)17-2/h4-5,8,13-14H,3,6-7H2,1-2H3
InChIKeyNYCSYLSNMHDXAH-UHFFFAOYSA-N
XLogP1.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide
CID 114839213
N-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
CID 114138792
N-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106047989
N-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106060812
N-(2-fluoro-5-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106071793
N-(3,4-dichlorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106059504
N-(2,5-difluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 114141081
N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106087751
4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]butanoic acid
CID 43380723
N-(4-bromo-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106058558
4-chloro-N-(3,4-dimethoxyphenyl)butane-1-sulfonamide
CID 116814830
N-(2,6-difluoro-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106074571

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide (CID 106086490) is N-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide is CNCCCS(=O)(=O)Nc1ccc(F)c(OC)c1.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide?
The InChIKey is NYCSYLSNMHDXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3S/c1-13-6-3-7-18(15,16)14-9-4-5-10(12)11(8-9)17-2/h4-5,8,13-14H,3,6-7H2,1-2H3.
What are the key properties of N-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide?
N-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide has a molecular weight of 276.33 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide is sourced from PubChem (CID 106086490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).