N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-difluorobenzenesulfonamide

C15H15F2NO4S — CID 95982384

IUPACN-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NC[C@@](O)(c1ccco1)C1CC1)c1cc(F)ccc1F
InChIInChI=1S/C15H15F2NO4S/c16-11-5-6-12(17)13(8-11)23(20,21)18-9-15(19,10-3-4-10)14-2-1-7-22-14/h1-2,5-8,10,18-19H,3-4,9H2/t15-/m0/s1
InChIKeyZDSHGEBQZZGBJB-HNNXBMFYSA-N
MW343.35 g/mol
LogP2.13
Rot. Bonds6

About N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-difluorobenzenesulfonamide

N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-difluorobenzenesulfonamide (PubChem CID 95982384) has the molecular formula C15H15F2NO4S and a molecular weight of 343.35 g/mol. Its IUPAC name is N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-difluorobenzenesulfonamide
PubChem CID95982384
Molecular FormulaC15H15F2NO4S
Molecular Weight343.35 g/mol
Exact Mass343.07
IUPAC NameN-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NC[C@@](O)(c1ccco1)C1CC1)c1cc(F)ccc1F
InChIInChI=1S/C15H15F2NO4S/c16-11-5-6-12(17)13(8-11)23(20,21)18-9-15(19,10-3-4-10)14-2-1-7-22-14/h1-2,5-8,10,18-19H,3-4,9H2/t15-/m0/s1
InChIKeyZDSHGEBQZZGBJB-HNNXBMFYSA-N
XLogP2.13
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-difluorobenzenesulfonamide (CID 95982384) is N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-difluorobenzenesulfonamide is O=S(=O)(NC[C@@](O)(c1ccco1)C1CC1)c1cc(F)ccc1F.
What is the InChIKey of N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is ZDSHGEBQZZGBJB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H15F2NO4S/c16-11-5-6-12(17)13(8-11)23(20,21)18-9-15(19,10-3-4-10)14-2-1-7-22-14/h1-2,5-8,10,18-19H,3-4,9H2/t15-/m0/s1.
What are the key properties of N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-difluorobenzenesulfonamide?
N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 343.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 95982384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).