2-(4-bromo-3-fluorophenyl)-N-tert-butylbenzenesulfonamide

C16H17BrFNO2S — CID 90313076

IUPAC2-(4-bromo-3-fluorophenyl)-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(Br)c(F)c1
InChIInChI=1S/C16H17BrFNO2S/c1-16(2,3)19-22(20,21)15-7-5-4-6-12(15)11-8-9-13(17)14(18)10-11/h4-10,19H,1-3H3
InChIKeyUFZBQCTWTQTLRN-UHFFFAOYSA-N
MW386.29 g/mol
LogP4.33
Rot. Bonds3

About 2-(4-bromo-3-fluorophenyl)-N-tert-butylbenzenesulfonamide

2-(4-bromo-3-fluorophenyl)-N-tert-butylbenzenesulfonamide (PubChem CID 90313076) has the molecular formula C16H17BrFNO2S and a molecular weight of 386.29 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-N-tert-butylbenzenesulfonamide.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-N-tert-butylbenzenesulfonamide
PubChem CID90313076
Molecular FormulaC16H17BrFNO2S
Molecular Weight386.29 g/mol
Exact Mass385.01
IUPAC Name2-(4-bromo-3-fluorophenyl)-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(Br)c(F)c1
InChIInChI=1S/C16H17BrFNO2S/c1-16(2,3)19-22(20,21)15-7-5-4-6-12(15)11-8-9-13(17)14(18)10-11/h4-10,19H,1-3H3
InChIKeyUFZBQCTWTQTLRN-UHFFFAOYSA-N
XLogP4.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-N-tert-butylbenzenesulfonamide?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-N-tert-butylbenzenesulfonamide (CID 90313076) is 2-(4-bromo-3-fluorophenyl)-N-tert-butylbenzenesulfonamide.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-N-tert-butylbenzenesulfonamide?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-N-tert-butylbenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(Br)c(F)c1.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-N-tert-butylbenzenesulfonamide?
The InChIKey is UFZBQCTWTQTLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2S/c1-16(2,3)19-22(20,21)15-7-5-4-6-12(15)11-8-9-13(17)14(18)10-11/h4-10,19H,1-3H3.
What are the key properties of 2-(4-bromo-3-fluorophenyl)-N-tert-butylbenzenesulfonamide?
2-(4-bromo-3-fluorophenyl)-N-tert-butylbenzenesulfonamide has a molecular weight of 386.29 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-N-tert-butylbenzenesulfonamide is sourced from PubChem (CID 90313076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).