5-fluoro-N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide

C12H19FN2O4S2 — CID 102920881

IUPAC5-fluoro-N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C12H19FN2O4S2/c1-14-9-10-4-5-11(13)8-12(10)21(18,19)15(2)6-7-20(3,16)17/h4-5,8,14H,6-7,9H2,1-3H3
InChIKeyBTDBSFFUGQGJIB-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.21
Rot. Bonds7

About 5-fluoro-N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide

5-fluoro-N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide (PubChem CID 102920881) has the molecular formula C12H19FN2O4S2 and a molecular weight of 338.43 g/mol. Its IUPAC name is 5-fluoro-N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide
PubChem CID102920881
Molecular FormulaC12H19FN2O4S2
Molecular Weight338.43 g/mol
Exact Mass338.08
IUPAC Name5-fluoro-N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C12H19FN2O4S2/c1-14-9-10-4-5-11(13)8-12(10)21(18,19)15(2)6-7-20(3,16)17/h4-5,8,14H,6-7,9H2,1-3H3
InChIKeyBTDBSFFUGQGJIB-UHFFFAOYSA-N
XLogP0.21
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)propyl]-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 102920795
2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849981
N-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 102920747
N-butyl-2-(ethylaminomethyl)-5-fluoro-N-methylbenzenesulfonamide
CID 102920241
5-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 102920651
5-fluoro-2-(methylaminomethyl)-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 102920199
5-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-4-yl)benzenesulfonamide
CID 102920403
2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78924987
5-fluoro-2-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 102920876
5-fluoro-N-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102920255
2-(chloromethyl)-5-fluoro-N-methyl-N-pentylbenzenesulfonamide
CID 102920022
5-fluoro-2-(hydroxymethyl)-N-methyl-N-pentylbenzenesulfonamide
CID 102919704

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide (CID 102920881) is 5-fluoro-N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide is CNCc1ccc(F)cc1S(=O)(=O)N(C)CCS(C)(=O)=O.
What is the InChIKey of 5-fluoro-N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide?
The InChIKey is BTDBSFFUGQGJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O4S2/c1-14-9-10-4-5-11(13)8-12(10)21(18,19)15(2)6-7-20(3,16)17/h4-5,8,14H,6-7,9H2,1-3H3.
What are the key properties of 5-fluoro-N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide?
5-fluoro-N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide has a molecular weight of 338.43 g/mol, XLogP of 0.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 102920881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).