2-fluoro-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide

C14H21FN2O3S — CID 106062919

IUPAC2-fluoro-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESCNCc1ccc(F)c(S(=O)(=O)NCC2CCOCC2)c1
InChIInChI=1S/C14H21FN2O3S/c1-16-9-12-2-3-13(15)14(8-12)21(18,19)17-10-11-4-6-20-7-5-11/h2-3,8,11,16-17H,4-7,9-10H2,1H3
InChIKeyYCFONOVJOAPBIQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.25
Rot. Bonds6

About 2-fluoro-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide

2-fluoro-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide (PubChem CID 106062919) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-fluoro-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
PubChem CID106062919
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name2-fluoro-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESCNCc1ccc(F)c(S(=O)(=O)NCC2CCOCC2)c1
InChIInChI=1S/C14H21FN2O3S/c1-16-9-12-2-3-13(15)14(8-12)21(18,19)17-10-11-4-6-20-7-5-11/h2-3,8,11,16-17H,4-7,9-10H2,1H3
InChIKeyYCFONOVJOAPBIQ-UHFFFAOYSA-N
XLogP1.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106092820
4-fluoro-3-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106063003
2-fluoro-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 106016517
2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106063015
2,4-difluoro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110875681
2-methyl-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106062930
5-amino-2-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61116313
4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 106063055
2-fluoro-N-(2-methoxy-2-methylpropyl)-5-(methylaminomethyl)benzenesulfonamide
CID 106079864
N-(3,3-dimethylbutyl)-2-fluoro-5-(methylaminomethyl)benzenesulfonamide
CID 106085441
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide
CID 79190650
5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106062917

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide (CID 106062919) is 2-fluoro-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide is CNCc1ccc(F)c(S(=O)(=O)NCC2CCOCC2)c1.
What is the InChIKey of 2-fluoro-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide?
The InChIKey is YCFONOVJOAPBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-16-9-12-2-3-13(15)14(8-12)21(18,19)17-10-11-4-6-20-7-5-11/h2-3,8,11,16-17H,4-7,9-10H2,1H3.
What are the key properties of 2-fluoro-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide?
2-fluoro-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide has a molecular weight of 316.40 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106062919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).