N-ethyl-2,5-difluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide

C13H17F2NO3S — CID 60587275

IUPACN-ethyl-2,5-difluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H17F2NO3S/c1-2-16(9-11-4-3-7-19-11)20(17,18)13-8-10(14)5-6-12(13)15/h5-6,8,11H,2-4,7,9H2,1H3
InChIKeyNITDRYQTCASWHL-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.15
Rot. Bonds5

About N-ethyl-2,5-difluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide

N-ethyl-2,5-difluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 60587275) has the molecular formula C13H17F2NO3S and a molecular weight of 305.35 g/mol. Its IUPAC name is N-ethyl-2,5-difluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2,5-difluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID60587275
Molecular FormulaC13H17F2NO3S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC NameN-ethyl-2,5-difluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H17F2NO3S/c1-2-16(9-11-4-3-7-19-11)20(17,18)13-8-10(14)5-6-12(13)15/h5-6,8,11H,2-4,7,9H2,1H3
InChIKeyNITDRYQTCASWHL-UHFFFAOYSA-N
XLogP2.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-difluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-2,5-difluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 60587275) is N-ethyl-2,5-difluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-2,5-difluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-2,5-difluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide is CCN(CC1CCCO1)S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-ethyl-2,5-difluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is NITDRYQTCASWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3S/c1-2-16(9-11-4-3-7-19-11)20(17,18)13-8-10(14)5-6-12(13)15/h5-6,8,11H,2-4,7,9H2,1H3.
What are the key properties of N-ethyl-2,5-difluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
N-ethyl-2,5-difluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 305.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-difluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 60587275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).