1-(3-chloro-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)-2-hydroxyethyl]methanesulfonamide

C13H13ClFNO4S — CID 97078736

IUPAC1-(3-chloro-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)-2-hydroxyethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)c(Cl)c1)N[C@H](CO)c1ccco1
InChIInChI=1S/C13H13ClFNO4S/c14-10-6-9(3-4-11(10)15)8-21(18,19)16-12(7-17)13-2-1-5-20-13/h1-6,12,16-17H,7-8H2/t12-/m1/s1
InChIKeyZRYIGMCTQZNNOZ-GFCCVEGCSA-N
MW333.77 g/mol
LogP2.23
Rot. Bonds6

About 1-(3-chloro-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)-2-hydroxyethyl]methanesulfonamide

1-(3-chloro-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)-2-hydroxyethyl]methanesulfonamide (PubChem CID 97078736) has the molecular formula C13H13ClFNO4S and a molecular weight of 333.77 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)-2-hydroxyethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)-2-hydroxyethyl]methanesulfonamide
PubChem CID97078736
Molecular FormulaC13H13ClFNO4S
Molecular Weight333.77 g/mol
Exact Mass333.02
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)-2-hydroxyethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)c(Cl)c1)N[C@H](CO)c1ccco1
InChIInChI=1S/C13H13ClFNO4S/c14-10-6-9(3-4-11(10)15)8-21(18,19)16-12(7-17)13-2-1-5-20-13/h1-6,12,16-17H,7-8H2/t12-/m1/s1
InChIKeyZRYIGMCTQZNNOZ-GFCCVEGCSA-N
XLogP2.23
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)-2-hydroxyethyl]methanesulfonamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)-2-hydroxyethyl]methanesulfonamide (CID 97078736) is 1-(3-chloro-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)-2-hydroxyethyl]methanesulfonamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)-2-hydroxyethyl]methanesulfonamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)-2-hydroxyethyl]methanesulfonamide is O=S(=O)(Cc1ccc(F)c(Cl)c1)N[C@H](CO)c1ccco1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)-2-hydroxyethyl]methanesulfonamide?
The InChIKey is ZRYIGMCTQZNNOZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H13ClFNO4S/c14-10-6-9(3-4-11(10)15)8-21(18,19)16-12(7-17)13-2-1-5-20-13/h1-6,12,16-17H,7-8H2/t12-/m1/s1.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)-2-hydroxyethyl]methanesulfonamide?
1-(3-chloro-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)-2-hydroxyethyl]methanesulfonamide has a molecular weight of 333.77 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)-2-hydroxyethyl]methanesulfonamide is sourced from PubChem (CID 97078736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).