4-fluoro-N-(2-methoxypropyl)-3-(propylaminomethyl)benzenesulfonamide

C14H23FN2O3S — CID 102701601

IUPAC4-fluoro-N-(2-methoxypropyl)-3-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NCC(C)OC)ccc1F
InChIInChI=1S/C14H23FN2O3S/c1-4-7-16-10-12-8-13(5-6-14(12)15)21(18,19)17-9-11(2)20-3/h5-6,8,11,16-17H,4,7,9-10H2,1-3H3
InChIKeyCVZYTACQWYCMIP-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.64
Rot. Bonds9

About 4-fluoro-N-(2-methoxypropyl)-3-(propylaminomethyl)benzenesulfonamide

4-fluoro-N-(2-methoxypropyl)-3-(propylaminomethyl)benzenesulfonamide (PubChem CID 102701601) has the molecular formula C14H23FN2O3S and a molecular weight of 318.41 g/mol. Its IUPAC name is 4-fluoro-N-(2-methoxypropyl)-3-(propylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methoxypropyl)-3-(propylaminomethyl)benzenesulfonamide
PubChem CID102701601
Molecular FormulaC14H23FN2O3S
Molecular Weight318.41 g/mol
Exact Mass318.14
IUPAC Name4-fluoro-N-(2-methoxypropyl)-3-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NCC(C)OC)ccc1F
InChIInChI=1S/C14H23FN2O3S/c1-4-7-16-10-12-8-13(5-6-14(12)15)21(18,19)17-9-11(2)20-3/h5-6,8,11,16-17H,4,7,9-10H2,1-3H3
InChIKeyCVZYTACQWYCMIP-UHFFFAOYSA-N
XLogP1.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.64
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

4-fluoro-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 102701544
5-fluoro-N-(2-methoxypropyl)-2-(propylaminomethyl)benzenesulfonamide
CID 102921102
N-(2,2-difluoroethyl)-4-ethyl-3-(propylaminomethyl)benzenesulfonamide
CID 115409256
4-fluoro-N-(1-methylsulfanylpropan-2-yl)-3-(propylaminomethyl)benzenesulfonamide
CID 106079623
3-(ethylaminomethyl)-4-fluoro-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 106077953
3-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697449
1-ethyl-N-(2-methoxypropyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 102701589
4-methyl-N-(2-methylsulfanylpropyl)-3-(propylaminomethyl)benzenesulfonamide
CID 106077660
4-fluoro-N-(3-methoxy-2-methylpropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106050778
4-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 102701447
N-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 102701565
2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102921100

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methoxypropyl)-3-(propylaminomethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-methoxypropyl)-3-(propylaminomethyl)benzenesulfonamide (CID 102701601) is 4-fluoro-N-(2-methoxypropyl)-3-(propylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-methoxypropyl)-3-(propylaminomethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-methoxypropyl)-3-(propylaminomethyl)benzenesulfonamide is CCCNCc1cc(S(=O)(=O)NCC(C)OC)ccc1F.
What is the InChIKey of 4-fluoro-N-(2-methoxypropyl)-3-(propylaminomethyl)benzenesulfonamide?
The InChIKey is CVZYTACQWYCMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O3S/c1-4-7-16-10-12-8-13(5-6-14(12)15)21(18,19)17-9-11(2)20-3/h5-6,8,11,16-17H,4,7,9-10H2,1-3H3.
What are the key properties of 4-fluoro-N-(2-methoxypropyl)-3-(propylaminomethyl)benzenesulfonamide?
4-fluoro-N-(2-methoxypropyl)-3-(propylaminomethyl)benzenesulfonamide has a molecular weight of 318.41 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methoxypropyl)-3-(propylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 102701601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).