2-fluoro-N-(oxolan-3-yl)-4-(propylaminomethyl)benzenesulfonamide

C14H21FN2O3S — CID 106072319

IUPAC2-fluoro-N-(oxolan-3-yl)-4-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)NC2CCOC2)c(F)c1
InChIInChI=1S/C14H21FN2O3S/c1-2-6-16-9-11-3-4-14(13(15)8-11)21(18,19)17-12-5-7-20-10-12/h3-4,8,12,16-17H,2,5-7,9-10H2,1H3
InChIKeyCVFYJLFCLHQVLV-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.39
Rot. Bonds7

About 2-fluoro-N-(oxolan-3-yl)-4-(propylaminomethyl)benzenesulfonamide

2-fluoro-N-(oxolan-3-yl)-4-(propylaminomethyl)benzenesulfonamide (PubChem CID 106072319) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-fluoro-N-(oxolan-3-yl)-4-(propylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(oxolan-3-yl)-4-(propylaminomethyl)benzenesulfonamide
PubChem CID106072319
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name2-fluoro-N-(oxolan-3-yl)-4-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)NC2CCOC2)c(F)c1
InChIInChI=1S/C14H21FN2O3S/c1-2-6-16-9-11-3-4-14(13(15)8-11)21(18,19)17-12-5-7-20-10-12/h3-4,8,12,16-17H,2,5-7,9-10H2,1H3
InChIKeyCVFYJLFCLHQVLV-UHFFFAOYSA-N
XLogP1.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.39
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-fluoro-4-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide
CID 106072492
2-bromo-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106072392
5-(aminomethyl)-3-fluoro-2-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 106072353
3-amino-2,4-difluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 107343713
2-bromo-4-(propylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 106086331
4-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106072586
3-(ethylaminomethyl)-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 106072571
2-chloro-5-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065187
4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 79190542
N-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 107687270
2-bromo-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 80713106
4-ethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868831

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(oxolan-3-yl)-4-(propylaminomethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(oxolan-3-yl)-4-(propylaminomethyl)benzenesulfonamide (CID 106072319) is 2-fluoro-N-(oxolan-3-yl)-4-(propylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(oxolan-3-yl)-4-(propylaminomethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(oxolan-3-yl)-4-(propylaminomethyl)benzenesulfonamide is CCCNCc1ccc(S(=O)(=O)NC2CCOC2)c(F)c1.
What is the InChIKey of 2-fluoro-N-(oxolan-3-yl)-4-(propylaminomethyl)benzenesulfonamide?
The InChIKey is CVFYJLFCLHQVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-2-6-16-9-11-3-4-14(13(15)8-11)21(18,19)17-12-5-7-20-10-12/h3-4,8,12,16-17H,2,5-7,9-10H2,1H3.
What are the key properties of 2-fluoro-N-(oxolan-3-yl)-4-(propylaminomethyl)benzenesulfonamide?
2-fluoro-N-(oxolan-3-yl)-4-(propylaminomethyl)benzenesulfonamide has a molecular weight of 316.40 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(oxolan-3-yl)-4-(propylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106072319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).