1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride

C10H13BrClFN2O2S — CID 120708382

IUPAC1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2ccc(Br)cc2F)C1
InChIInChI=1S/C10H12BrFN2O2S.ClH/c11-7-1-2-10(9(12)5-7)17(15,16)14-4-3-8(13)6-14;/h1-2,5,8H,3-4,6,13H2;1H
InChIKeyIVGPGYIHGGROHF-UHFFFAOYSA-N
MW359.65 g/mol
LogP1.73
Rot. Bonds2

About 1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride

1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 120708382) has the molecular formula C10H13BrClFN2O2S and a molecular weight of 359.65 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID120708382
Molecular FormulaC10H13BrClFN2O2S
Molecular Weight359.65 g/mol
Exact Mass357.96
IUPAC Name1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2ccc(Br)cc2F)C1
InChIInChI=1S/C10H12BrFN2O2S.ClH/c11-7-1-2-10(9(12)5-7)17(15,16)14-4-3-8(13)6-14;/h1-2,5,8H,3-4,6,13H2;1H
InChIKeyIVGPGYIHGGROHF-UHFFFAOYSA-N
XLogP1.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 116527858
(3S)-1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993532
1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 55030126
(3S)-1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-amine
CID 94340271
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120712583
1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120705990
(3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120713063
1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 120894023
1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971709
1-(4-bromo-2-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 116528215
1-(4-bromo-2-fluorophenyl)sulfonyl-4-cyclopropylpiperazine
CID 116528277
5-(4-bromo-2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 116527932

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 120708382) is 1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride is Cl.NC1CCN(S(=O)(=O)c2ccc(Br)cc2F)C1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is IVGPGYIHGGROHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O2S.ClH/c11-7-1-2-10(9(12)5-7)17(15,16)14-4-3-8(13)6-14;/h1-2,5,8H,3-4,6,13H2;1H.
What are the key properties of 1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 359.65 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120708382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).