N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzenesulfonamide

C18H24FN3O2S — CID 7497842

IUPACN-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzenesulfonamide
SMILESCN(C)c1ccc([C@H](CNS(=O)(=O)c2cccc(F)c2)N(C)C)cc1
InChIInChI=1S/C18H24FN3O2S/c1-21(2)16-10-8-14(9-11-16)18(22(3)4)13-20-25(23,24)17-7-5-6-15(19)12-17/h5-12,18,20H,13H2,1-4H3/t18-/m0/s1
InChIKeyMSBPIIYKYQWCOZ-SFHVURJKSA-N
MW365.47 g/mol
LogP2.47
Rot. Bonds7

About N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzenesulfonamide

N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzenesulfonamide (PubChem CID 7497842) has the molecular formula C18H24FN3O2S and a molecular weight of 365.47 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzenesulfonamide
PubChem CID7497842
Molecular FormulaC18H24FN3O2S
Molecular Weight365.47 g/mol
Exact Mass365.16
IUPAC NameN-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzenesulfonamide
SMILESCN(C)c1ccc([C@H](CNS(=O)(=O)c2cccc(F)c2)N(C)C)cc1
InChIInChI=1S/C18H24FN3O2S/c1-21(2)16-10-8-14(9-11-16)18(22(3)4)13-20-25(23,24)17-7-5-6-15(19)12-17/h5-12,18,20H,13H2,1-4H3/t18-/m0/s1
InChIKeyMSBPIIYKYQWCOZ-SFHVURJKSA-N
XLogP2.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-fluorobenzenesulfonamide
CID 20962685
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-nitrobenzenesulfonamide
CID 43956490
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-2-sulfonamide
CID 7497879
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 20962682
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide
CID 7497838
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 47006075
N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3-fluorobenzenesulfonamide
CID 42263946
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 43956494
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-fluorobenzenesulfonamide
CID 90554367
3-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzene-1,3-disulfonamide
CID 55512101
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]ethanesulfonamide
CID 43956477
3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 44903192

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzenesulfonamide (CID 7497842) is N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzenesulfonamide is CN(C)c1ccc([C@H](CNS(=O)(=O)c2cccc(F)c2)N(C)C)cc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzenesulfonamide?
The InChIKey is MSBPIIYKYQWCOZ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24FN3O2S/c1-21(2)16-10-8-14(9-11-16)18(22(3)4)13-20-25(23,24)17-7-5-6-15(19)12-17/h5-12,18,20H,13H2,1-4H3/t18-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzenesulfonamide?
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzenesulfonamide has a molecular weight of 365.47 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 7497842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).