N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-fluorobenzenesulfonamide

C15H23FN2O3S — CID 69367217

IUPACN-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-fluorobenzenesulfonamide
SMILESCC1CC(C)N(C[C@@H](O)CNS(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C15H23FN2O3S/c1-11-6-12(2)18(9-11)10-14(19)8-17-22(20,21)15-5-3-4-13(16)7-15/h3-5,7,11-12,14,17,19H,6,8-10H2,1-2H3/t11?,12?,14-/m0/s1
InChIKeyUIZUWQUAOSWDTB-YIZWMMSDSA-N
MW330.43 g/mol
LogP1.20
Rot. Bonds6

About N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-fluorobenzenesulfonamide

N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-fluorobenzenesulfonamide (PubChem CID 69367217) has the molecular formula C15H23FN2O3S and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-fluorobenzenesulfonamide
PubChem CID69367217
Molecular FormulaC15H23FN2O3S
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC NameN-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-fluorobenzenesulfonamide
SMILESCC1CC(C)N(C[C@@H](O)CNS(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C15H23FN2O3S/c1-11-6-12(2)18(9-11)10-14(19)8-17-22(20,21)15-5-3-4-13(16)7-15/h3-5,7,11-12,14,17,19H,6,8-10H2,1-2H3/t11?,12?,14-/m0/s1
InChIKeyUIZUWQUAOSWDTB-YIZWMMSDSA-N
XLogP1.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 69369504
N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 69369500
N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-methoxybenzenesulfonamide
CID 69367593
N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-4-propylbenzenesulfonamide
CID 69368073
N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2-(trifluoromethyl)benzenesulfonamide
CID 69366997
N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2,4,6-trimethylbenzenesulfonamide
CID 69367197
3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115755002
3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834023
N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide
CID 90932964
N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 44526975
N-[(2R)-3-(2,6-dimethylpiperidin-1-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 45480715
3-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 62674645

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-fluorobenzenesulfonamide (CID 69367217) is N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-fluorobenzenesulfonamide is CC1CC(C)N(C[C@@H](O)CNS(=O)(=O)c2cccc(F)c2)C1.
What is the InChIKey of N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-fluorobenzenesulfonamide?
The InChIKey is UIZUWQUAOSWDTB-YIZWMMSDSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-11-6-12(2)18(9-11)10-14(19)8-17-22(20,21)15-5-3-4-13(16)7-15/h3-5,7,11-12,14,17,19H,6,8-10H2,1-2H3/t11?,12?,14-/m0/s1.
What are the key properties of N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-fluorobenzenesulfonamide?
N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-fluorobenzenesulfonamide has a molecular weight of 330.43 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 69367217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).