3-chloro-N-[[(4S)-1,3-dioxolan-4-yl]methyl]-5-fluorobenzenesulfonamide

C10H11ClFNO4S — CID 164630836

IUPAC3-chloro-N-[[(4S)-1,3-dioxolan-4-yl]methyl]-5-fluorobenzenesulfonamide
SMILESO=S(=O)(NC[C@H]1COCO1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H11ClFNO4S/c11-7-1-8(12)3-10(2-7)18(14,15)13-4-9-5-16-6-17-9/h1-3,9,13H,4-6H2/t9-/m0/s1
InChIKeyWDWZHLGAYDJAPV-VIFPVBQESA-N
MW295.72 g/mol
LogP1.13
Rot. Bonds4

About 3-chloro-N-[[(4S)-1,3-dioxolan-4-yl]methyl]-5-fluorobenzenesulfonamide

3-chloro-N-[[(4S)-1,3-dioxolan-4-yl]methyl]-5-fluorobenzenesulfonamide (PubChem CID 164630836) has the molecular formula C10H11ClFNO4S and a molecular weight of 295.72 g/mol. Its IUPAC name is 3-chloro-N-[[(4S)-1,3-dioxolan-4-yl]methyl]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[[(4S)-1,3-dioxolan-4-yl]methyl]-5-fluorobenzenesulfonamide
PubChem CID164630836
Molecular FormulaC10H11ClFNO4S
Molecular Weight295.72 g/mol
Exact Mass295.01
IUPAC Name3-chloro-N-[[(4S)-1,3-dioxolan-4-yl]methyl]-5-fluorobenzenesulfonamide
SMILESO=S(=O)(NC[C@H]1COCO1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H11ClFNO4S/c11-7-1-8(12)3-10(2-7)18(14,15)13-4-9-5-16-6-17-9/h1-3,9,13H,4-6H2/t9-/m0/s1
InChIKeyWDWZHLGAYDJAPV-VIFPVBQESA-N
XLogP1.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[(4S)-1,3-dioxolan-4-yl]methyl]-5-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-[[(4S)-1,3-dioxolan-4-yl]methyl]-5-fluorobenzenesulfonamide (CID 164630836) is 3-chloro-N-[[(4S)-1,3-dioxolan-4-yl]methyl]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[[(4S)-1,3-dioxolan-4-yl]methyl]-5-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[[(4S)-1,3-dioxolan-4-yl]methyl]-5-fluorobenzenesulfonamide is O=S(=O)(NC[C@H]1COCO1)c1cc(F)cc(Cl)c1.
What is the InChIKey of 3-chloro-N-[[(4S)-1,3-dioxolan-4-yl]methyl]-5-fluorobenzenesulfonamide?
The InChIKey is WDWZHLGAYDJAPV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11ClFNO4S/c11-7-1-8(12)3-10(2-7)18(14,15)13-4-9-5-16-6-17-9/h1-3,9,13H,4-6H2/t9-/m0/s1.
What are the key properties of 3-chloro-N-[[(4S)-1,3-dioxolan-4-yl]methyl]-5-fluorobenzenesulfonamide?
3-chloro-N-[[(4S)-1,3-dioxolan-4-yl]methyl]-5-fluorobenzenesulfonamide has a molecular weight of 295.72 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[(4S)-1,3-dioxolan-4-yl]methyl]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 164630836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).