4-bromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline

C13H19BrN2O3S — CID 61220131

IUPAC4-bromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline
SMILESCCOC1CCN(S(=O)(=O)c2cc(Br)ccc2N)CC1
InChIInChI=1S/C13H19BrN2O3S/c1-2-19-11-5-7-16(8-6-11)20(17,18)13-9-10(14)3-4-12(13)15/h3-4,9,11H,2,5-8,15H2,1H3
InChIKeyACSNGHLQKZFWSC-UHFFFAOYSA-N
MW363.28 g/mol
LogP2.22
Rot. Bonds4

About 4-bromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline

4-bromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline (PubChem CID 61220131) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is 4-bromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name4-bromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline
PubChem CID61220131
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC Name4-bromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline
SMILESCCOC1CCN(S(=O)(=O)c2cc(Br)ccc2N)CC1
InChIInChI=1S/C13H19BrN2O3S/c1-2-19-11-5-7-16(8-6-11)20(17,18)13-9-10(14)3-4-12(13)15/h3-4,9,11H,2,5-8,15H2,1H3
InChIKeyACSNGHLQKZFWSC-UHFFFAOYSA-N
XLogP2.22
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 52.22
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

3,5-dibromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline
CID 61219950
1-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 60986320
1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine
CID 61217397
4-bromo-2-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylaniline
CID 61114909
1-(2-amino-5-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 63168219
3-(4-ethoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 79885293
5-bromo-2-(4-methoxypiperidin-1-yl)sulfonylaniline
CID 43372850
[5-bromo-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 61298747
1-(2-bromo-4-fluorophenyl)sulfonyl-4-ethoxypiperidine
CID 61217396
5-chloro-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-methylaniline
CID 114379262
(3S)-1-(2-amino-5-bromophenyl)sulfonylpyrrolidin-3-ol
CID 107212123
2-(4-ethoxypiperidin-1-yl)sulfonyl-3,4-dimethylaniline
CID 61219942

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline?
The IUPAC name of 4-bromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline (CID 61220131) is 4-bromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 4-bromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 4-bromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline is CCOC1CCN(S(=O)(=O)c2cc(Br)ccc2N)CC1.
What is the InChIKey of 4-bromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline?
The InChIKey is ACSNGHLQKZFWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-2-19-11-5-7-16(8-6-11)20(17,18)13-9-10(14)3-4-12(13)15/h3-4,9,11H,2,5-8,15H2,1H3.
What are the key properties of 4-bromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline?
4-bromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline has a molecular weight of 363.28 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 61220131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).