1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide

C13H18BrN3O3S — CID 43577772

IUPAC1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1S(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C13H18BrN3O3S/c1-16(2)13(18)11-4-3-7-17(11)21(19,20)12-6-5-9(14)8-10(12)15/h5-6,8,11H,3-4,7,15H2,1-2H3
InChIKeyKGSJRWFCUGFRPE-UHFFFAOYSA-N
MW376.28 g/mol
LogP1.27
Rot. Bonds3

About 1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide

1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 43577772) has the molecular formula C13H18BrN3O3S and a molecular weight of 376.28 g/mol. Its IUPAC name is 1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID43577772
Molecular FormulaC13H18BrN3O3S
Molecular Weight376.28 g/mol
Exact Mass375.03
IUPAC Name1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1S(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C13H18BrN3O3S/c1-16(2)13(18)11-4-3-7-17(11)21(19,20)12-6-5-9(14)8-10(12)15/h5-6,8,11H,3-4,7,15H2,1-2H3
InChIKeyKGSJRWFCUGFRPE-UHFFFAOYSA-N
XLogP1.27
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 51.27
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

1-(4-bromo-2-chlorophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide
CID 60700592
[(2R)-1-(2-amino-4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212246
1-(2-amino-4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43258628
1-(4-bromo-2-ethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 6735653
methyl 1-(2-amino-5-bromophenyl)sulfonylpiperidine-2-carboxylate
CID 61115015
1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43084223
1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine
CID 63164439
4-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]sulfonylaniline
CID 62886965
5-bromo-2-(4-methylpiperidin-1-yl)sulfonylaniline
CID 43256810
1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 60660626
methyl 1-(2,4-dibromophenyl)sulfonylpiperidine-2-carboxylate
CID 61216236
(2S)-1-(4-bromo-2-methylphenyl)sulfonyl-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 91970942

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide (CID 43577772) is 1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1S(=O)(=O)c1ccc(Br)cc1N.
What is the InChIKey of 1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is KGSJRWFCUGFRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O3S/c1-16(2)13(18)11-4-3-7-17(11)21(19,20)12-6-5-9(14)8-10(12)15/h5-6,8,11H,3-4,7,15H2,1-2H3.
What are the key properties of 1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide?
1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 376.28 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 43577772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).