5-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-N,N-dimethylfuran-2-sulfonamide

C14H15ClFNO5S2 — CID 86997457

IUPAC5-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CS(=O)(=O)Cc2c(F)cccc2Cl)o1
InChIInChI=1S/C14H15ClFNO5S2/c1-17(2)24(20,21)14-7-6-10(22-14)8-23(18,19)9-11-12(15)4-3-5-13(11)16/h3-7H,8-9H2,1-2H3
InChIKeyUFFOWUXVNFRSRP-UHFFFAOYSA-N
MW395.86 g/mol
LogP2.44
Rot. Bonds6

About 5-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-N,N-dimethylfuran-2-sulfonamide

5-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-N,N-dimethylfuran-2-sulfonamide (PubChem CID 86997457) has the molecular formula C14H15ClFNO5S2 and a molecular weight of 395.86 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-N,N-dimethylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-N,N-dimethylfuran-2-sulfonamide
PubChem CID86997457
Molecular FormulaC14H15ClFNO5S2
Molecular Weight395.86 g/mol
Exact Mass395.01
IUPAC Name5-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CS(=O)(=O)Cc2c(F)cccc2Cl)o1
InChIInChI=1S/C14H15ClFNO5S2/c1-17(2)24(20,21)14-7-6-10(22-14)8-23(18,19)9-11-12(15)4-3-5-13(11)16/h3-7H,8-9H2,1-2H3
InChIKeyUFFOWUXVNFRSRP-UHFFFAOYSA-N
XLogP2.44
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.86
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-N,N-dimethylfuran-2-sulfonamide?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-N,N-dimethylfuran-2-sulfonamide (CID 86997457) is 5-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-N,N-dimethylfuran-2-sulfonamide.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-N,N-dimethylfuran-2-sulfonamide?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-N,N-dimethylfuran-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(CS(=O)(=O)Cc2c(F)cccc2Cl)o1.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-N,N-dimethylfuran-2-sulfonamide?
The InChIKey is UFFOWUXVNFRSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO5S2/c1-17(2)24(20,21)14-7-6-10(22-14)8-23(18,19)9-11-12(15)4-3-5-13(11)16/h3-7H,8-9H2,1-2H3.
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-N,N-dimethylfuran-2-sulfonamide?
5-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-N,N-dimethylfuran-2-sulfonamide has a molecular weight of 395.86 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-N,N-dimethylfuran-2-sulfonamide is sourced from PubChem (CID 86997457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).