1-(4-bromofuran-3-yl)sulfonylpyrrolidine-2-carbonitrile

C9H9BrN2O3S — CID 167781383

IUPAC1-(4-bromofuran-3-yl)sulfonylpyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1S(=O)(=O)c1cocc1Br
InChIInChI=1S/C9H9BrN2O3S/c10-8-5-15-6-9(8)16(13,14)12-3-1-2-7(12)4-11/h5-7H,1-3H2
InChIKeyHEOWIGNMZPAZDQ-UHFFFAOYSA-N
MW305.15 g/mol
LogP1.72
Rot. Bonds2

About 1-(4-bromofuran-3-yl)sulfonylpyrrolidine-2-carbonitrile

1-(4-bromofuran-3-yl)sulfonylpyrrolidine-2-carbonitrile (PubChem CID 167781383) has the molecular formula C9H9BrN2O3S and a molecular weight of 305.15 g/mol. Its IUPAC name is 1-(4-bromofuran-3-yl)sulfonylpyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-(4-bromofuran-3-yl)sulfonylpyrrolidine-2-carbonitrile
PubChem CID167781383
Molecular FormulaC9H9BrN2O3S
Molecular Weight305.15 g/mol
Exact Mass303.95
IUPAC Name1-(4-bromofuran-3-yl)sulfonylpyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1S(=O)(=O)c1cocc1Br
InChIInChI=1S/C9H9BrN2O3S/c10-8-5-15-6-9(8)16(13,14)12-3-1-2-7(12)4-11/h5-7H,1-3H2
InChIKeyHEOWIGNMZPAZDQ-UHFFFAOYSA-N
XLogP1.72
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-cyanopyrrolidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106595218
1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidine-2-carbonitrile
CID 82854286
1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-2-carbonitrile
CID 79989340
(2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile
CID 146541443
1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile
CID 146541445
4-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 65206811
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-3-bromoaniline
CID 65319536
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-4-bromoaniline
CID 65207194
2-bromo-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 136581741
3-bromo-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 54882786
[(2R)-1-(5-amino-2-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212229
1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carbonitrile
CID 130654016

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromofuran-3-yl)sulfonylpyrrolidine-2-carbonitrile?
The IUPAC name of 1-(4-bromofuran-3-yl)sulfonylpyrrolidine-2-carbonitrile (CID 167781383) is 1-(4-bromofuran-3-yl)sulfonylpyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-(4-bromofuran-3-yl)sulfonylpyrrolidine-2-carbonitrile?
The canonical SMILES for 1-(4-bromofuran-3-yl)sulfonylpyrrolidine-2-carbonitrile is N#CC1CCCN1S(=O)(=O)c1cocc1Br.
What is the InChIKey of 1-(4-bromofuran-3-yl)sulfonylpyrrolidine-2-carbonitrile?
The InChIKey is HEOWIGNMZPAZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O3S/c10-8-5-15-6-9(8)16(13,14)12-3-1-2-7(12)4-11/h5-7H,1-3H2.
What are the key properties of 1-(4-bromofuran-3-yl)sulfonylpyrrolidine-2-carbonitrile?
1-(4-bromofuran-3-yl)sulfonylpyrrolidine-2-carbonitrile has a molecular weight of 305.15 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromofuran-3-yl)sulfonylpyrrolidine-2-carbonitrile is sourced from PubChem (CID 167781383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).