N-[3-(dimethylamino)propyl]-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide

C14H24FN3O2S — CID 102920795

IUPACN-[3-(dimethylamino)propyl]-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)N(C)CCCN(C)C
InChIInChI=1S/C14H24FN3O2S/c1-16-11-12-6-7-13(15)10-14(12)21(19,20)18(4)9-5-8-17(2)3/h6-7,10,16H,5,8-9,11H2,1-4H3
InChIKeyAKQBMMNOTBSSQO-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.12
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide

N-[3-(dimethylamino)propyl]-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide (PubChem CID 102920795) has the molecular formula C14H24FN3O2S and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
PubChem CID102920795
Molecular FormulaC14H24FN3O2S
Molecular Weight317.43 g/mol
Exact Mass317.16
IUPAC NameN-[3-(dimethylamino)propyl]-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)N(C)CCCN(C)C
InChIInChI=1S/C14H24FN3O2S/c1-16-11-12-6-7-13(15)10-14(12)21(19,20)18(4)9-5-8-17(2)3/h6-7,10,16H,5,8-9,11H2,1-4H3
InChIKeyAKQBMMNOTBSSQO-UHFFFAOYSA-N
XLogP1.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 102920881
N-butyl-2-(ethylaminomethyl)-5-fluoro-N-methylbenzenesulfonamide
CID 102920241
N-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 102920747
5-fluoro-2-(hydroxymethyl)-N-methyl-N-pentylbenzenesulfonamide
CID 102919704
2-(chloromethyl)-5-fluoro-N-methyl-N-pentylbenzenesulfonamide
CID 102920022
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-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide
CID 55226364
5-fluoro-N-methyl-2-(propylaminomethyl)-N-prop-2-ynylbenzenesulfonamide
CID 102920924
N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzenesulfonamide
CID 63695562
5-fluoro-N-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102920255

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide (CID 102920795) is N-[3-(dimethylamino)propyl]-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(F)cc1S(=O)(=O)N(C)CCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide?
The InChIKey is AKQBMMNOTBSSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3O2S/c1-16-11-12-6-7-13(15)10-14(12)21(19,20)18(4)9-5-8-17(2)3/h6-7,10,16H,5,8-9,11H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide?
N-[3-(dimethylamino)propyl]-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide has a molecular weight of 317.43 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 102920795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).