4-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide

C11H15ClFNO2S — CID 2447571

IUPAC4-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H15ClFNO2S/c1-4-11(2,3)14-17(15,16)10-6-5-8(12)7-9(10)13/h5-7,14H,4H2,1-3H3
InChIKeyTXXAMJJEHJHOPH-UHFFFAOYSA-N
MW279.76 g/mol
LogP2.95
Rot. Bonds4

About 4-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide

4-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 2447571) has the molecular formula C11H15ClFNO2S and a molecular weight of 279.76 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID2447571
Molecular FormulaC11H15ClFNO2S
Molecular Weight279.76 g/mol
Exact Mass279.05
IUPAC Name4-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H15ClFNO2S/c1-4-11(2,3)14-17(15,16)10-6-5-8(12)7-9(10)13/h5-7,14H,4H2,1-3H3
InChIKeyTXXAMJJEHJHOPH-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.76
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 2447571) is 4-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is TXXAMJJEHJHOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO2S/c1-4-11(2,3)14-17(15,16)10-6-5-8(12)7-9(10)13/h5-7,14H,4H2,1-3H3.
What are the key properties of 4-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide?
4-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 279.76 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 2447571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).