2-bromo-5-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylaniline

C11H14BrClN2O2S — CID 62955662

IUPAC2-bromo-5-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylaniline
SMILESCC1CCCN1S(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C11H14BrClN2O2S/c1-7-3-2-4-15(7)18(16,17)10-6-8(13)5-9(14)11(10)12/h5-7H,2-4,14H2,1H3
InChIKeyBHWOTAFMDBJSKO-UHFFFAOYSA-N
MW353.67 g/mol
LogP2.86
Rot. Bonds2

About 2-bromo-5-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylaniline

2-bromo-5-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylaniline (PubChem CID 62955662) has the molecular formula C11H14BrClN2O2S and a molecular weight of 353.67 g/mol. Its IUPAC name is 2-bromo-5-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2-bromo-5-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylaniline
PubChem CID62955662
Molecular FormulaC11H14BrClN2O2S
Molecular Weight353.67 g/mol
Exact Mass351.96
IUPAC Name2-bromo-5-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylaniline
SMILESCC1CCCN1S(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C11H14BrClN2O2S/c1-7-3-2-4-15(7)18(16,17)10-6-8(13)5-9(14)11(10)12/h5-7H,2-4,14H2,1H3
InChIKeyBHWOTAFMDBJSKO-UHFFFAOYSA-N
XLogP2.86
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.67
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-5-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-chloro-3-(2-methylpiperidin-1-yl)sulfonylaniline
CID 55152333
2-bromo-5-chloro-3-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 62955663
[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-2-yl]methanol
CID 62955833
[1-(3-amino-2-bromo-5-chlorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102777084
2-bromo-5-chloro-3-(3,4,5-trimethylpiperazin-1-yl)sulfonylaniline
CID 114542755
1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol
CID 55133971
2-bromo-5-chloro-3-(3-methoxypiperidin-1-yl)sulfonylaniline
CID 102955319
1-(3-amino-2-bromo-5-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114677561
4-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 65206811
2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine
CID 58733463
2-bromo-5-chloro-3-(4-propylpiperidin-1-yl)sulfonylaniline
CID 62957606
2-bromo-5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline
CID 62957756

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylaniline?
The IUPAC name of 2-bromo-5-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylaniline (CID 62955662) is 2-bromo-5-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylaniline.
What is the SMILES notation for 2-bromo-5-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylaniline?
The canonical SMILES for 2-bromo-5-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylaniline is CC1CCCN1S(=O)(=O)c1cc(Cl)cc(N)c1Br.
What is the InChIKey of 2-bromo-5-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylaniline?
The InChIKey is BHWOTAFMDBJSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2S/c1-7-3-2-4-15(7)18(16,17)10-6-8(13)5-9(14)11(10)12/h5-7H,2-4,14H2,1H3.
What are the key properties of 2-bromo-5-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylaniline?
2-bromo-5-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylaniline has a molecular weight of 353.67 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylaniline is sourced from PubChem (CID 62955662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).