N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3-fluorobenzenesulfonamide

C15H20FN3O2S — CID 42263946

IUPACN-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3-fluorobenzenesulfonamide
SMILESCN(C)[C@H](CNS(=O)(=O)c1cccc(F)c1)c1cccn1C
InChIInChI=1S/C15H20FN3O2S/c1-18(2)15(14-8-5-9-19(14)3)11-17-22(20,21)13-7-4-6-12(16)10-13/h4-10,15,17H,11H2,1-3H3/t15-/m1/s1
InChIKeyBFZLNVFNPNACTJ-OAHLLOKOSA-N
MW325.41 g/mol
LogP1.75
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3-fluorobenzenesulfonamide

N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3-fluorobenzenesulfonamide (PubChem CID 42263946) has the molecular formula C15H20FN3O2S and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3-fluorobenzenesulfonamide
PubChem CID42263946
Molecular FormulaC15H20FN3O2S
Molecular Weight325.41 g/mol
Exact Mass325.13
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3-fluorobenzenesulfonamide
SMILESCN(C)[C@H](CNS(=O)(=O)c1cccc(F)c1)c1cccn1C
InChIInChI=1S/C15H20FN3O2S/c1-18(2)15(14-8-5-9-19(14)3)11-17-22(20,21)13-7-4-6-12(16)10-13/h4-10,15,17H,11H2,1-3H3/t15-/m1/s1
InChIKeyBFZLNVFNPNACTJ-OAHLLOKOSA-N
XLogP1.75
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-fluorobenzenesulfonamide
CID 90490875
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzenesulfonamide
CID 7497842
5-chloro-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 42264048
3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115755002
N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 93486044
3-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 62674645
N-[(2R)-2-(ethylamino)propyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120664651
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 47006075
3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834023
N-(2-aminobutyl)-3-fluorobenzenesulfonamide
CID 63731601
3-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697449
2-[[(3-fluorophenyl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 65221060

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3-fluorobenzenesulfonamide (CID 42263946) is N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3-fluorobenzenesulfonamide is CN(C)[C@H](CNS(=O)(=O)c1cccc(F)c1)c1cccn1C.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3-fluorobenzenesulfonamide?
The InChIKey is BFZLNVFNPNACTJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20FN3O2S/c1-18(2)15(14-8-5-9-19(14)3)11-17-22(20,21)13-7-4-6-12(16)10-13/h4-10,15,17H,11H2,1-3H3/t15-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3-fluorobenzenesulfonamide?
N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3-fluorobenzenesulfonamide has a molecular weight of 325.41 g/mol, XLogP of 1.75, 6 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-(1-methylpyrrol-2-yl)ethyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 42263946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).