4-tert-butyl-N-(4-chloro-5-fluoro-2-methylphenyl)benzenesulfinamide

C17H19ClFNOS — CID 143780525

IUPAC4-tert-butyl-N-(4-chloro-5-fluoro-2-methylphenyl)benzenesulfinamide
SMILESCc1cc(Cl)c(F)cc1NS(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H19ClFNOS/c1-11-9-14(18)15(19)10-16(11)20-22(21)13-7-5-12(6-8-13)17(2,3)4/h5-10,20H,1-4H3
InChIKeyPAVZRLRQTURBPP-UHFFFAOYSA-N
MW339.86 g/mol
LogP5.22
Rot. Bonds3

About 4-tert-butyl-N-(4-chloro-5-fluoro-2-methylphenyl)benzenesulfinamide

4-tert-butyl-N-(4-chloro-5-fluoro-2-methylphenyl)benzenesulfinamide (PubChem CID 143780525) has the molecular formula C17H19ClFNOS and a molecular weight of 339.86 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-chloro-5-fluoro-2-methylphenyl)benzenesulfinamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-chloro-5-fluoro-2-methylphenyl)benzenesulfinamide
PubChem CID143780525
Molecular FormulaC17H19ClFNOS
Molecular Weight339.86 g/mol
Exact Mass339.09
IUPAC Name4-tert-butyl-N-(4-chloro-5-fluoro-2-methylphenyl)benzenesulfinamide
SMILESCc1cc(Cl)c(F)cc1NS(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H19ClFNOS/c1-11-9-14(18)15(19)10-16(11)20-22(21)13-7-5-12(6-8-13)17(2,3)4/h5-10,20H,1-4H3
InChIKeyPAVZRLRQTURBPP-UHFFFAOYSA-N
XLogP5.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.86
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-chloro-5-fluoro-2-methylphenyl)benzenesulfinamide?
The IUPAC name of 4-tert-butyl-N-(4-chloro-5-fluoro-2-methylphenyl)benzenesulfinamide (CID 143780525) is 4-tert-butyl-N-(4-chloro-5-fluoro-2-methylphenyl)benzenesulfinamide.
What is the SMILES notation for 4-tert-butyl-N-(4-chloro-5-fluoro-2-methylphenyl)benzenesulfinamide?
The canonical SMILES for 4-tert-butyl-N-(4-chloro-5-fluoro-2-methylphenyl)benzenesulfinamide is Cc1cc(Cl)c(F)cc1NS(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-chloro-5-fluoro-2-methylphenyl)benzenesulfinamide?
The InChIKey is PAVZRLRQTURBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNOS/c1-11-9-14(18)15(19)10-16(11)20-22(21)13-7-5-12(6-8-13)17(2,3)4/h5-10,20H,1-4H3.
What are the key properties of 4-tert-butyl-N-(4-chloro-5-fluoro-2-methylphenyl)benzenesulfinamide?
4-tert-butyl-N-(4-chloro-5-fluoro-2-methylphenyl)benzenesulfinamide has a molecular weight of 339.86 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-chloro-5-fluoro-2-methylphenyl)benzenesulfinamide is sourced from PubChem (CID 143780525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).