N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-fluoro-4-methylbenzenesulfonamide

C15H19FN2O3S — CID 51943762

IUPACN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-fluoro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N(C)C)cc1F
InChIInChI=1S/C15H19FN2O3S/c1-11-6-7-12(9-13(11)16)22(19,20)17-10-14(18(2)3)15-5-4-8-21-15/h4-9,14,17H,10H2,1-3H3/t14-/m0/s1
InChIKeyFDLHWNMKWLEQQZ-AWEZNQCLSA-N
MW326.39 g/mol
LogP2.31
Rot. Bonds6

About N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-fluoro-4-methylbenzenesulfonamide

N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-fluoro-4-methylbenzenesulfonamide (PubChem CID 51943762) has the molecular formula C15H19FN2O3S and a molecular weight of 326.39 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-fluoro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-fluoro-4-methylbenzenesulfonamide
PubChem CID51943762
Molecular FormulaC15H19FN2O3S
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-fluoro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N(C)C)cc1F
InChIInChI=1S/C15H19FN2O3S/c1-11-6-7-12(9-13(11)16)22(19,20)17-10-14(18(2)3)15-5-4-8-21-15/h4-9,14,17H,10H2,1-3H3/t14-/m0/s1
InChIKeyFDLHWNMKWLEQQZ-AWEZNQCLSA-N
XLogP2.31
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide
CID 45003113
3-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzene-1,3-disulfonamide
CID 55511765
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide;formic acid
CID 71786114
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-nitrobenzenesulfonamide
CID 41454933
4-fluoro-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 41193186
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 51710552
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60700187
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 51145074
N-[2-(dimethylamino)ethyl]-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-3-nitrobenzenesulfonamide
CID 55346473
3-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-methoxybenzenesulfonamide
CID 40775184
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 25342331
1-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]methanesulfonamide
CID 93157738

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-fluoro-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-fluoro-4-methylbenzenesulfonamide (CID 51943762) is N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-fluoro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-fluoro-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-fluoro-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N(C)C)cc1F.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-fluoro-4-methylbenzenesulfonamide?
The InChIKey is FDLHWNMKWLEQQZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19FN2O3S/c1-11-6-7-12(9-13(11)16)22(19,20)17-10-14(18(2)3)15-5-4-8-21-15/h4-9,14,17H,10H2,1-3H3/t14-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-fluoro-4-methylbenzenesulfonamide?
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-fluoro-4-methylbenzenesulfonamide has a molecular weight of 326.39 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-fluoro-4-methylbenzenesulfonamide is sourced from PubChem (CID 51943762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).