2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide

C11H14BrFN2O2S — CID 63297707

IUPAC2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C11H14BrFN2O2S/c1-15(9-4-5-14-7-9)18(16,17)11-3-2-8(13)6-10(11)12/h2-3,6,9,14H,4-5,7H2,1H3
InChIKeyZKYYJJAKVOBVBK-UHFFFAOYSA-N
MW337.21 g/mol
LogP1.57
Rot. Bonds3

About 2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide

2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 63297707) has the molecular formula C11H14BrFN2O2S and a molecular weight of 337.21 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID63297707
Molecular FormulaC11H14BrFN2O2S
Molecular Weight337.21 g/mol
Exact Mass335.99
IUPAC Name2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C11H14BrFN2O2S/c1-15(9-4-5-14-7-9)18(16,17)11-3-2-8(13)6-10(11)12/h2-3,6,9,14H,4-5,7H2,1H3
InChIKeyZKYYJJAKVOBVBK-UHFFFAOYSA-N
XLogP1.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azetidin-3-yl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 66186864
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide
CID 54923408
4-bromo-2,3-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709932
4-bromo-N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 119979113
2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63644245
4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606895
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55172954
2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993945
5-bromo-2,4-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709937
2-fluoro-N,5-dimethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298118
N-(azepan-4-yl)-2,4-dibromo-N-methylbenzenesulfonamide
CID 107172943

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide (CID 63297707) is 2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide is CN(C1CCNC1)S(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is ZKYYJJAKVOBVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2S/c1-15(9-4-5-14-7-9)18(16,17)11-3-2-8(13)6-10(11)12/h2-3,6,9,14H,4-5,7H2,1H3.
What are the key properties of 2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 337.21 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 63297707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).