N-tert-butyl-5-fluoro-2-methoxybenzenesulfonamide

C11H16FNO3S — CID 41446893

IUPACN-tert-butyl-5-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H16FNO3S/c1-11(2,3)13-17(14,15)10-7-8(12)5-6-9(10)16-4/h5-7,13H,1-4H3
InChIKeyIEIVDXBSFAAJSW-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.91
Rot. Bonds3

About N-tert-butyl-5-fluoro-2-methoxybenzenesulfonamide

N-tert-butyl-5-fluoro-2-methoxybenzenesulfonamide (PubChem CID 41446893) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is N-tert-butyl-5-fluoro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-fluoro-2-methoxybenzenesulfonamide
PubChem CID41446893
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC NameN-tert-butyl-5-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H16FNO3S/c1-11(2,3)13-17(14,15)10-7-8(12)5-6-9(10)16-4/h5-7,13H,1-4H3
InChIKeyIEIVDXBSFAAJSW-UHFFFAOYSA-N
XLogP1.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-fluoro-2-methoxybenzenesulfonamide?
The IUPAC name of N-tert-butyl-5-fluoro-2-methoxybenzenesulfonamide (CID 41446893) is N-tert-butyl-5-fluoro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-5-fluoro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-tert-butyl-5-fluoro-2-methoxybenzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-5-fluoro-2-methoxybenzenesulfonamide?
The InChIKey is IEIVDXBSFAAJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-11(2,3)13-17(14,15)10-7-8(12)5-6-9(10)16-4/h5-7,13H,1-4H3.
What are the key properties of N-tert-butyl-5-fluoro-2-methoxybenzenesulfonamide?
N-tert-butyl-5-fluoro-2-methoxybenzenesulfonamide has a molecular weight of 261.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-fluoro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 41446893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).