5-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-4-yl)benzenesulfonamide

C14H21FN2O3S — CID 102920403

IUPAC5-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-4-yl)benzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)N(C)C1CCOCC1
InChIInChI=1S/C14H21FN2O3S/c1-16-10-11-3-4-12(15)9-14(11)21(18,19)17(2)13-5-7-20-8-6-13/h3-4,9,13,16H,5-8,10H2,1-2H3
InChIKeySJBUKTVTBQTCMR-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.34
Rot. Bonds5

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

5-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 102920403) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-4-yl)benzenesulfonamide
PubChem CID102920403
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name5-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-4-yl)benzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)N(C)C1CCOCC1
InChIInChI=1S/C14H21FN2O3S/c1-16-10-11-3-4-12(15)9-14(11)21(18,19)17(2)13-5-7-20-8-6-13/h3-4,9,13,16H,5-8,10H2,1-2H3
InChIKeySJBUKTVTBQTCMR-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

N-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 102920747
2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide
CID 102921048
2-ethyl-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide
CID 82748707
5-fluoro-N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 102920881
N-[3-(dimethylamino)propyl]-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 102920795
2-(aminomethyl)-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 102920256
5-fluoro-2-(methylaminomethyl)-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 102920199
5-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 102920651
5-fluoro-2-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 102919775
2-bromo-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide
CID 82746071
4-fluoro-N,2,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 107326757
N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-3-sulfonamide
CID 82746069

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of 5-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-4-yl)benzenesulfonamide (CID 102920403) is 5-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-4-yl)benzenesulfonamide is CNCc1ccc(F)cc1S(=O)(=O)N(C)C1CCOCC1.
What is the InChIKey of 5-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is SJBUKTVTBQTCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-16-10-11-3-4-12(15)9-14(11)21(18,19)17(2)13-5-7-20-8-6-13/h3-4,9,13,16H,5-8,10H2,1-2H3.
What are the key properties of 5-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-4-yl)benzenesulfonamide?
5-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-4-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 5-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 102920403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).