N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzenesulfonamide

C12H19FN2O2S — CID 63695562

IUPACN-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzenesulfonamide
SMILESCN(C)CCCN(C)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H19FN2O2S/c1-14(2)9-6-10-15(3)18(16,17)12-8-5-4-7-11(12)13/h4-5,7-8H,6,9-10H2,1-3H3
InChIKeySWVNLYUEUNYBNF-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.40
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzenesulfonamide

N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzenesulfonamide (PubChem CID 63695562) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzenesulfonamide
PubChem CID63695562
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC NameN-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzenesulfonamide
SMILESCN(C)CCCN(C)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H19FN2O2S/c1-14(2)9-6-10-15(3)18(16,17)12-8-5-4-7-11(12)13/h4-5,7-8H,6,9-10H2,1-3H3
InChIKeySWVNLYUEUNYBNF-UHFFFAOYSA-N
XLogP1.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-methyl-N-pent-4-enylbenzenesulfonamide
CID 115640458
2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78924987
2-fluoro-N-methyl-N-(2-oxoethyl)benzenesulfonamide
CID 143860184
N-[2-(2-bromoethoxy)ethyl]-2-fluoro-N-methylbenzenesulfonamide
CID 114242897
2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63207567
N-(2-chloropropyl)-2-fluoro-N-methylbenzenesulfonamide
CID 63397262
2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 43420461
2-amino-3-fluoro-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide
CID 114230052
N-butyl-3-fluoro-N-methyl-2-nitrobenzenesulfonamide
CID 112686204
N-[3-(dimethylamino)propyl]-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 63700254
3-[3-(dimethylamino)propyl-methylsulfamoyl]benzenesulfonyl fluoride
CID 114958336
N-[3-(dimethylamino)propyl]-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 102920795

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzenesulfonamide (CID 63695562) is N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzenesulfonamide is CN(C)CCCN(C)S(=O)(=O)c1ccccc1F.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzenesulfonamide?
The InChIKey is SWVNLYUEUNYBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-14(2)9-6-10-15(3)18(16,17)12-8-5-4-7-11(12)13/h4-5,7-8H,6,9-10H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzenesulfonamide?
N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzenesulfonamide has a molecular weight of 274.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 63695562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).