N-tert-butyl-2-(1,3-difluoropropan-2-yloxy)benzenesulfonamide

C13H19F2NO3S — CID 66909324

IUPACN-tert-butyl-2-(1,3-difluoropropan-2-yloxy)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1OC(CF)CF
InChIInChI=1S/C13H19F2NO3S/c1-13(2,3)16-20(17,18)12-7-5-4-6-11(12)19-10(8-14)9-15/h4-7,10,16H,8-9H2,1-3H3
InChIKeyQFMPLFJBUJXZEO-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.45
Rot. Bonds6

About N-tert-butyl-2-(1,3-difluoropropan-2-yloxy)benzenesulfonamide

N-tert-butyl-2-(1,3-difluoropropan-2-yloxy)benzenesulfonamide (PubChem CID 66909324) has the molecular formula C13H19F2NO3S and a molecular weight of 307.36 g/mol. Its IUPAC name is N-tert-butyl-2-(1,3-difluoropropan-2-yloxy)benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1,3-difluoropropan-2-yloxy)benzenesulfonamide
PubChem CID66909324
Molecular FormulaC13H19F2NO3S
Molecular Weight307.36 g/mol
Exact Mass307.11
IUPAC NameN-tert-butyl-2-(1,3-difluoropropan-2-yloxy)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1OC(CF)CF
InChIInChI=1S/C13H19F2NO3S/c1-13(2,3)16-20(17,18)12-7-5-4-6-11(12)19-10(8-14)9-15/h4-7,10,16H,8-9H2,1-3H3
InChIKeyQFMPLFJBUJXZEO-UHFFFAOYSA-N
XLogP2.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1,3-difluoropropan-2-yloxy)benzenesulfonamide?
The IUPAC name of N-tert-butyl-2-(1,3-difluoropropan-2-yloxy)benzenesulfonamide (CID 66909324) is N-tert-butyl-2-(1,3-difluoropropan-2-yloxy)benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2-(1,3-difluoropropan-2-yloxy)benzenesulfonamide?
The canonical SMILES for N-tert-butyl-2-(1,3-difluoropropan-2-yloxy)benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccccc1OC(CF)CF.
What is the InChIKey of N-tert-butyl-2-(1,3-difluoropropan-2-yloxy)benzenesulfonamide?
The InChIKey is QFMPLFJBUJXZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO3S/c1-13(2,3)16-20(17,18)12-7-5-4-6-11(12)19-10(8-14)9-15/h4-7,10,16H,8-9H2,1-3H3.
What are the key properties of N-tert-butyl-2-(1,3-difluoropropan-2-yloxy)benzenesulfonamide?
N-tert-butyl-2-(1,3-difluoropropan-2-yloxy)benzenesulfonamide has a molecular weight of 307.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1,3-difluoropropan-2-yloxy)benzenesulfonamide is sourced from PubChem (CID 66909324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).