2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide

C14H21FN2O3S — CID 82748477

IUPAC2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)N(C)C2CCOC2C)c(F)c1
InChIInChI=1S/C14H21FN2O3S/c1-10-13(6-7-20-10)17(3)21(18,19)14-5-4-11(9-16-2)8-12(14)15/h4-5,8,10,13,16H,6-7,9H2,1-3H3
InChIKeyYRSVZLGMLRKEDA-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.34
Rot. Bonds5

About 2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide

2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide (PubChem CID 82748477) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
PubChem CID82748477
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)N(C)C2CCOC2C)c(F)c1
InChIInChI=1S/C14H21FN2O3S/c1-10-13(6-7-20-10)17(3)21(18,19)14-5-4-11(9-16-2)8-12(14)15/h4-5,8,10,13,16H,6-7,9H2,1-3H3
InChIKeyYRSVZLGMLRKEDA-UHFFFAOYSA-N
XLogP1.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-methyl-5-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82749260
N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
CID 82744478
N-[2,6-difluoro-4-(methylaminomethyl)phenyl]-N,2-dimethyloxolan-3-amine
CID 82742641
4-(chloromethyl)-2-methoxy-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 102704270
5-(chloromethyl)-3-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82748457
N,2-dimethyl-N-[4-(methylaminomethyl)phenyl]oxolan-3-amine
CID 82742719
5-amino-4-bromo-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 116530548
2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 79187326
4-(ethylaminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82729543
N-cyclopropyl-4-(ethylaminomethyl)-2-fluoro-N-methylbenzenesulfonamide
CID 79187108
N,5-dimethyl-3-(methylaminomethyl)-N-(2-methyloxolan-3-yl)-1H-pyrazole-4-sulfonamide
CID 82746159
2-fluoro-N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988551

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide (CID 82748477) is 2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)N(C)C2CCOC2C)c(F)c1.
What is the InChIKey of 2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The InChIKey is YRSVZLGMLRKEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-10-13(6-7-20-10)17(3)21(18,19)14-5-4-11(9-16-2)8-12(14)15/h4-5,8,10,13,16H,6-7,9H2,1-3H3.
What are the key properties of 2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide?
2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide has a molecular weight of 316.40 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 82748477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).