2-bromo-N-(tert-butylsulfamoyl)-4-fluoroaniline

C10H14BrFN2O2S — CID 104516960

IUPAC2-bromo-N-(tert-butylsulfamoyl)-4-fluoroaniline
SMILESCC(C)(C)NS(=O)(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C10H14BrFN2O2S/c1-10(2,3)14-17(15,16)13-9-5-4-7(12)6-8(9)11/h4-6,13-14H,1-3H3
InChIKeyBVXXJRGCJZCNGA-UHFFFAOYSA-N
MW325.20 g/mol
LogP2.63
Rot. Bonds3

About 2-bromo-N-(tert-butylsulfamoyl)-4-fluoroaniline

2-bromo-N-(tert-butylsulfamoyl)-4-fluoroaniline (PubChem CID 104516960) has the molecular formula C10H14BrFN2O2S and a molecular weight of 325.20 g/mol. Its IUPAC name is 2-bromo-N-(tert-butylsulfamoyl)-4-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-(tert-butylsulfamoyl)-4-fluoroaniline
PubChem CID104516960
Molecular FormulaC10H14BrFN2O2S
Molecular Weight325.20 g/mol
Exact Mass323.99
IUPAC Name2-bromo-N-(tert-butylsulfamoyl)-4-fluoroaniline
SMILESCC(C)(C)NS(=O)(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C10H14BrFN2O2S/c1-10(2,3)14-17(15,16)13-9-5-4-7(12)6-8(9)11/h4-6,13-14H,1-3H3
InChIKeyBVXXJRGCJZCNGA-UHFFFAOYSA-N
XLogP2.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-(tert-butylsulfamoylamino)benzenecarbothioamide
CID 107790171
4-bromo-N-(tert-butylsulfamoyl)-5-fluoro-2-methylaniline
CID 114808990
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220
4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide
CID 3369335
5-bromo-2-(tert-butylsulfamoylamino)benzonitrile
CID 114808012
3-amino-N-(2-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885868
2-amino-5-bromo-N-(2-bromo-4-fluorophenyl)-4-fluorobenzenesulfonamide
CID 106491351
N-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide
CID 3701608
N-(2-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide
CID 28939191
N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide
CID 61066206
N-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide
CID 28939221

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(tert-butylsulfamoyl)-4-fluoroaniline?
The IUPAC name of 2-bromo-N-(tert-butylsulfamoyl)-4-fluoroaniline (CID 104516960) is 2-bromo-N-(tert-butylsulfamoyl)-4-fluoroaniline.
What is the SMILES notation for 2-bromo-N-(tert-butylsulfamoyl)-4-fluoroaniline?
The canonical SMILES for 2-bromo-N-(tert-butylsulfamoyl)-4-fluoroaniline is CC(C)(C)NS(=O)(=O)Nc1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(tert-butylsulfamoyl)-4-fluoroaniline?
The InChIKey is BVXXJRGCJZCNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O2S/c1-10(2,3)14-17(15,16)13-9-5-4-7(12)6-8(9)11/h4-6,13-14H,1-3H3.
What are the key properties of 2-bromo-N-(tert-butylsulfamoyl)-4-fluoroaniline?
2-bromo-N-(tert-butylsulfamoyl)-4-fluoroaniline has a molecular weight of 325.20 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(tert-butylsulfamoyl)-4-fluoroaniline is sourced from PubChem (CID 104516960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).