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

C12H16BrClN2O2S — CID 62955663

IUPAC2-bromo-5-chloro-3-(2-ethylpyrrolidin-1-yl)sulfonylaniline
SMILESCCC1CCCN1S(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C12H16BrClN2O2S/c1-2-9-4-3-5-16(9)19(17,18)11-7-8(14)6-10(15)12(11)13/h6-7,9H,2-5,15H2,1H3
InChIKeyRZQWJGWAZAYAPN-UHFFFAOYSA-N
MW367.70 g/mol
LogP3.25
Rot. Bonds3

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

2-bromo-5-chloro-3-(2-ethylpyrrolidin-1-yl)sulfonylaniline (PubChem CID 62955663) has the molecular formula C12H16BrClN2O2S and a molecular weight of 367.70 g/mol. Its IUPAC name is 2-bromo-5-chloro-3-(2-ethylpyrrolidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2-bromo-5-chloro-3-(2-ethylpyrrolidin-1-yl)sulfonylaniline
PubChem CID62955663
Molecular FormulaC12H16BrClN2O2S
Molecular Weight367.70 g/mol
Exact Mass365.98
IUPAC Name2-bromo-5-chloro-3-(2-ethylpyrrolidin-1-yl)sulfonylaniline
SMILESCCC1CCCN1S(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C12H16BrClN2O2S/c1-2-9-4-3-5-16(9)19(17,18)11-7-8(14)6-10(15)12(11)13/h6-7,9H,2-5,15H2,1H3
InChIKeyRZQWJGWAZAYAPN-UHFFFAOYSA-N
XLogP3.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.70
LogP ≤ 53.25
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

[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-2-yl]methanol
CID 62955833
2-bromo-5-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 62955662
5-chloro-3-(2-ethylazepan-1-yl)sulfonyl-2-methylaniline
CID 114380157
2-bromo-5-chloro-3-(2-methylpiperidin-1-yl)sulfonylaniline
CID 55152333
2-bromo-5-chloro-3-(3-ethyl-4-methylpiperazin-1-yl)sulfonylaniline
CID 63605231
3-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 54882929
2-bromo-5-chloro-3-(4-propylpiperidin-1-yl)sulfonylaniline
CID 62957606
5-bromo-3-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline
CID 114379047
[1-(3-amino-2-bromo-5-chlorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102777084
3-bromo-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 54882786
2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 113288410
1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol
CID 55133971

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-3-(2-ethylpyrrolidin-1-yl)sulfonylaniline?
The IUPAC name of 2-bromo-5-chloro-3-(2-ethylpyrrolidin-1-yl)sulfonylaniline (CID 62955663) is 2-bromo-5-chloro-3-(2-ethylpyrrolidin-1-yl)sulfonylaniline.
What is the SMILES notation for 2-bromo-5-chloro-3-(2-ethylpyrrolidin-1-yl)sulfonylaniline?
The canonical SMILES for 2-bromo-5-chloro-3-(2-ethylpyrrolidin-1-yl)sulfonylaniline is CCC1CCCN1S(=O)(=O)c1cc(Cl)cc(N)c1Br.
What is the InChIKey of 2-bromo-5-chloro-3-(2-ethylpyrrolidin-1-yl)sulfonylaniline?
The InChIKey is RZQWJGWAZAYAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2S/c1-2-9-4-3-5-16(9)19(17,18)11-7-8(14)6-10(15)12(11)13/h6-7,9H,2-5,15H2,1H3.
What are the key properties of 2-bromo-5-chloro-3-(2-ethylpyrrolidin-1-yl)sulfonylaniline?
2-bromo-5-chloro-3-(2-ethylpyrrolidin-1-yl)sulfonylaniline has a molecular weight of 367.70 g/mol, XLogP of 3.25, 3 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-ethylpyrrolidin-1-yl)sulfonylaniline is sourced from PubChem (CID 62955663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).