4-bromo-N-(2-fluoropropyl)benzenesulfonamide

C9H11BrFNO2S — CID 46939178

IUPAC4-bromo-N-(2-fluoropropyl)benzenesulfonamide
SMILESCC(F)CNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H11BrFNO2S/c1-7(11)6-12-15(13,14)9-4-2-8(10)3-5-9/h2-5,7,12H,6H2,1H3
InChIKeyJPBWOKDTQTYHNR-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.09
Rot. Bonds4

About 4-bromo-N-(2-fluoropropyl)benzenesulfonamide

4-bromo-N-(2-fluoropropyl)benzenesulfonamide (PubChem CID 46939178) has the molecular formula C9H11BrFNO2S and a molecular weight of 296.16 g/mol. Its IUPAC name is 4-bromo-N-(2-fluoropropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-fluoropropyl)benzenesulfonamide
PubChem CID46939178
Molecular FormulaC9H11BrFNO2S
Molecular Weight296.16 g/mol
Exact Mass294.97
IUPAC Name4-bromo-N-(2-fluoropropyl)benzenesulfonamide
SMILESCC(F)CNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H11BrFNO2S/c1-7(11)6-12-15(13,14)9-4-2-8(10)3-5-9/h2-5,7,12H,6H2,1H3
InChIKeyJPBWOKDTQTYHNR-UHFFFAOYSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Bromobenzenesulfonamide
CID 69696
4-Bromo-N,N-dimethylbenzenesulphonamide
CID 12818
4-bromo-N-methylbenzene-1-sulfonamide
CID 101215
4-Bromo-N-propylbenzenesulfonamide
CID 77027
N-(4-bromobenzenesulfonyl)acetamide
CID 4298309
4-Bromo-N-isopropylbenzenesulphonamide
CID 121253
Benzenesulfonamide, p-bromo-N-ethyl-
CID 74803
N-Ethyl-4-fluorobenzenesulfonamide
CID 565733
4-bromo-N-[3-(dimethylamino)-2-methylpropyl]benzenesulfonamide
CID 2953567
2-Bromo-N-hexylbenzenesulfonamide
CID 16060181
N-[amino(imino)methyl]-4-bromobenzenesulfonamide
CID 4424591
4-Bromo-N-(2-diethylamino-ethyl)-benzenesulfonamide
CID 4879851

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-fluoropropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-fluoropropyl)benzenesulfonamide (CID 46939178) is 4-bromo-N-(2-fluoropropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-fluoropropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-fluoropropyl)benzenesulfonamide is CC(F)CNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-fluoropropyl)benzenesulfonamide?
The InChIKey is JPBWOKDTQTYHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2S/c1-7(11)6-12-15(13,14)9-4-2-8(10)3-5-9/h2-5,7,12H,6H2,1H3.
What are the key properties of 4-bromo-N-(2-fluoropropyl)benzenesulfonamide?
4-bromo-N-(2-fluoropropyl)benzenesulfonamide has a molecular weight of 296.16 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-fluoropropyl)benzenesulfonamide is sourced from PubChem (CID 46939178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).