5-bromo-N-tert-butyl-4-fluoro-2-methylbenzenesulfonamide

C11H15BrFNO2S — CID 146223561

IUPAC5-bromo-N-tert-butyl-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)c(Br)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H15BrFNO2S/c1-7-5-9(13)8(12)6-10(7)17(15,16)14-11(2,3)4/h5-6,14H,1-4H3
InChIKeyCMQGEHCQCYIXKV-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.97
Rot. Bonds2

About 5-bromo-N-tert-butyl-4-fluoro-2-methylbenzenesulfonamide

5-bromo-N-tert-butyl-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 146223561) has the molecular formula C11H15BrFNO2S and a molecular weight of 324.22 g/mol. Its IUPAC name is 5-bromo-N-tert-butyl-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-tert-butyl-4-fluoro-2-methylbenzenesulfonamide
PubChem CID146223561
Molecular FormulaC11H15BrFNO2S
Molecular Weight324.22 g/mol
Exact Mass323.00
IUPAC Name5-bromo-N-tert-butyl-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)c(Br)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H15BrFNO2S/c1-7-5-9(13)8(12)6-10(7)17(15,16)14-11(2,3)4/h5-6,14H,1-4H3
InChIKeyCMQGEHCQCYIXKV-UHFFFAOYSA-N
XLogP2.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-2-methylbenzene-1-sulfonamide
CID 2446821
5-bromo-N,2-dimethylbenzene-1-sulfonamide
CID 8777805
5-Bromo-4-fluoro-2-methylbenzene-1-sulfonyl chloride
CID 50998616
7-bromo-3-butyl-2H-1lambda6,2-benzothiazine 1,1-dioxide
CID 156010424
4-bromo-N-(2-fluoropropyl)-2-methylbenzenesulfonamide
CID 177381772
3-Bromo-N-tert-butylbenzene-1-sulfonamide
CID 4820926
3-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 4820928
N-(2-aminoethyl)-3-bromo-2-methylbenzenesulfonamide
CID 86780578
N-tert-butyl-4-bromomethyl-2-fluorobenzenesulfonamide
CID 10881860
5-Bromo-4-fluoro-2-methylbenzenesulfonamide
CID 50998619
3-Bromo-5-fluoro-2-methylbenzene-1-sulfonamide
CID 67059052
2-bromo-N-(2-methylbutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide
CID 68688168

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-tert-butyl-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-tert-butyl-4-fluoro-2-methylbenzenesulfonamide (CID 146223561) is 5-bromo-N-tert-butyl-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-tert-butyl-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-tert-butyl-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)c(Br)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 5-bromo-N-tert-butyl-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is CMQGEHCQCYIXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO2S/c1-7-5-9(13)8(12)6-10(7)17(15,16)14-11(2,3)4/h5-6,14H,1-4H3.
What are the key properties of 5-bromo-N-tert-butyl-4-fluoro-2-methylbenzenesulfonamide?
5-bromo-N-tert-butyl-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 324.22 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-tert-butyl-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 146223561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).