3,5-dibromo-2-pyrrolidin-1-ylsulfonylaniline

C10H12Br2N2O2S — CID 43256817

IUPAC3,5-dibromo-2-pyrrolidin-1-ylsulfonylaniline
SMILESNc1cc(Br)cc(Br)c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H12Br2N2O2S/c11-7-5-8(12)10(9(13)6-7)17(15,16)14-3-1-2-4-14/h5-6H,1-4,13H2
InChIKeyBLGXGGJOQMMSFA-UHFFFAOYSA-N
MW384.09 g/mol
LogP2.58
Rot. Bonds2

About 3,5-dibromo-2-pyrrolidin-1-ylsulfonylaniline

3,5-dibromo-2-pyrrolidin-1-ylsulfonylaniline (PubChem CID 43256817) has the molecular formula C10H12Br2N2O2S and a molecular weight of 384.09 g/mol. Its IUPAC name is 3,5-dibromo-2-pyrrolidin-1-ylsulfonylaniline.

Molecular Properties

Compound Name3,5-dibromo-2-pyrrolidin-1-ylsulfonylaniline
PubChem CID43256817
Molecular FormulaC10H12Br2N2O2S
Molecular Weight384.09 g/mol
Exact Mass381.90
IUPAC Name3,5-dibromo-2-pyrrolidin-1-ylsulfonylaniline
SMILESNc1cc(Br)cc(Br)c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H12Br2N2O2S/c11-7-5-8(12)10(9(13)6-7)17(15,16)14-3-1-2-4-14/h5-6H,1-4,13H2
InChIKeyBLGXGGJOQMMSFA-UHFFFAOYSA-N
XLogP2.58
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.09
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(azepan-1-ylsulfonyl)-3,5-dibromoaniline
CID 43257095
[1-(2-amino-4,6-dibromophenyl)sulfonylpiperidin-4-yl]methanol
CID 43258861
3,5-dibromo-2-(2-methylpiperidin-1-yl)sulfonylaniline
CID 43256908
3,5-dibromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline
CID 61219950
3,5-dibromo-2-(2,2-dimethylmorpholin-4-yl)sulfonylaniline
CID 43592467
1-[1-(2-amino-4,6-dibromophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115964810
4-(2-amino-4,6-dibromophenyl)sulfonyl-3-ethylpiperazin-2-one
CID 63602712
2-bromo-4-fluoro-5-piperidin-1-ylsulfonylaniline
CID 116529299
1,4-bis[(2,4-dibromophenyl)sulfonyl]-1,4-diazepane
CID 21210164
1-(4-amino-2,6-dibromophenyl)sulfonylpiperidine-3-carboxamide
CID 43257284
2-amino-4,6-dibromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213586
2-(azepan-1-ylsulfonyl)-3-fluoro-5-nitroaniline
CID 62149876

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-pyrrolidin-1-ylsulfonylaniline?
The IUPAC name of 3,5-dibromo-2-pyrrolidin-1-ylsulfonylaniline (CID 43256817) is 3,5-dibromo-2-pyrrolidin-1-ylsulfonylaniline.
What is the SMILES notation for 3,5-dibromo-2-pyrrolidin-1-ylsulfonylaniline?
The canonical SMILES for 3,5-dibromo-2-pyrrolidin-1-ylsulfonylaniline is Nc1cc(Br)cc(Br)c1S(=O)(=O)N1CCCC1.
What is the InChIKey of 3,5-dibromo-2-pyrrolidin-1-ylsulfonylaniline?
The InChIKey is BLGXGGJOQMMSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2O2S/c11-7-5-8(12)10(9(13)6-7)17(15,16)14-3-1-2-4-14/h5-6H,1-4,13H2.
What are the key properties of 3,5-dibromo-2-pyrrolidin-1-ylsulfonylaniline?
3,5-dibromo-2-pyrrolidin-1-ylsulfonylaniline has a molecular weight of 384.09 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-pyrrolidin-1-ylsulfonylaniline is sourced from PubChem (CID 43256817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).