1-(2-amino-5-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine

C14H22BrN3O2S — CID 63168219

IUPAC1-(2-amino-5-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2cc(Br)ccc2N)C1
InChIInChI=1S/C14H22BrN3O2S/c1-3-17(4-2)12-7-8-18(10-12)21(19,20)14-9-11(15)5-6-13(14)16/h5-6,9,12H,3-4,7-8,10,16H2,1-2H3
InChIKeyDNTJVUWJNJZDRL-UHFFFAOYSA-N
MW376.32 g/mol
LogP2.14
Rot. Bonds5

About 1-(2-amino-5-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine

1-(2-amino-5-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine (PubChem CID 63168219) has the molecular formula C14H22BrN3O2S and a molecular weight of 376.32 g/mol. Its IUPAC name is 1-(2-amino-5-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-amino-5-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
PubChem CID63168219
Molecular FormulaC14H22BrN3O2S
Molecular Weight376.32 g/mol
Exact Mass375.06
IUPAC Name1-(2-amino-5-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2cc(Br)ccc2N)C1
InChIInChI=1S/C14H22BrN3O2S/c1-3-17(4-2)12-7-8-18(10-12)21(19,20)14-9-11(15)5-6-13(14)16/h5-6,9,12H,3-4,7-8,10,16H2,1-2H3
InChIKeyDNTJVUWJNJZDRL-UHFFFAOYSA-N
XLogP2.14
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 63175019
1-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 60986320
1-(4-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 63175057
1-(2-amino-4-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 63168088
(3S)-1-(2-amino-5-bromophenyl)sulfonylpyrrolidin-3-ol
CID 107212123
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-4-bromoaniline
CID 60986322
4-bromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline
CID 61220131
1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine
CID 63164439
1-(4-amino-3-fluorophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 82846137
3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 63174974
4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1-ethylpyrazol-3-amine
CID 63168177
4-bromo-2-(3,5-dimethylpiperidin-1-yl)sulfonylaniline
CID 54888558

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-(2-amino-5-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine (CID 63168219) is 1-(2-amino-5-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-amino-5-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-amino-5-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(S(=O)(=O)c2cc(Br)ccc2N)C1.
What is the InChIKey of 1-(2-amino-5-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine?
The InChIKey is DNTJVUWJNJZDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2S/c1-3-17(4-2)12-7-8-18(10-12)21(19,20)14-9-11(15)5-6-13(14)16/h5-6,9,12H,3-4,7-8,10,16H2,1-2H3.
What are the key properties of 1-(2-amino-5-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine?
1-(2-amino-5-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine has a molecular weight of 376.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 63168219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).