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

C12H16BrClN2O2S — CID 55152333

IUPAC2-bromo-5-chloro-3-(2-methylpiperidin-1-yl)sulfonylaniline
SMILESCC1CCCCN1S(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C12H16BrClN2O2S/c1-8-4-2-3-5-16(8)19(17,18)11-7-9(14)6-10(15)12(11)13/h6-8H,2-5,15H2,1H3
InChIKeyRZBSZEDKWZRDTR-UHFFFAOYSA-N
MW367.70 g/mol
LogP3.25
Rot. Bonds2

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

2-bromo-5-chloro-3-(2-methylpiperidin-1-yl)sulfonylaniline (PubChem CID 55152333) has the molecular formula C12H16BrClN2O2S and a molecular weight of 367.70 g/mol. Its IUPAC name is 2-bromo-5-chloro-3-(2-methylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2-bromo-5-chloro-3-(2-methylpiperidin-1-yl)sulfonylaniline
PubChem CID55152333
Molecular FormulaC12H16BrClN2O2S
Molecular Weight367.70 g/mol
Exact Mass365.98
IUPAC Name2-bromo-5-chloro-3-(2-methylpiperidin-1-yl)sulfonylaniline
SMILESCC1CCCCN1S(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C12H16BrClN2O2S/c1-8-4-2-3-5-16(8)19(17,18)11-7-9(14)6-10(15)12(11)13/h6-8H,2-5,15H2,1H3
InChIKeyRZBSZEDKWZRDTR-UHFFFAOYSA-N
XLogP3.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

2-bromo-5-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 62955662
[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-2-yl]methanol
CID 62955833
2-bromo-5-chloro-3-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 62955663
[1-(3-amino-2-bromo-5-chlorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102777084
1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine
CID 21364435
4-chloro-2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline
CID 61113392
2-bromo-5-chloro-3-(3,4,5-trimethylpiperazin-1-yl)sulfonylaniline
CID 114542755
1-[5-chloro-3-(chloromethyl)-2-methylphenyl]sulfonyl-2-methylpiperidine
CID 82884531
1-(3-amino-2-bromo-5-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114677561
2-bromo-5-chloro-3-(4-propylpiperidin-1-yl)sulfonylaniline
CID 62957606
5-chloro-3-(2-ethylazepan-1-yl)sulfonyl-2-methylaniline
CID 114380157
3,5-dibromo-2-(2-methylpiperidin-1-yl)sulfonylaniline
CID 43256908

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-3-(2-methylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 2-bromo-5-chloro-3-(2-methylpiperidin-1-yl)sulfonylaniline (CID 55152333) is 2-bromo-5-chloro-3-(2-methylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 2-bromo-5-chloro-3-(2-methylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 2-bromo-5-chloro-3-(2-methylpiperidin-1-yl)sulfonylaniline is CC1CCCCN1S(=O)(=O)c1cc(Cl)cc(N)c1Br.
What is the InChIKey of 2-bromo-5-chloro-3-(2-methylpiperidin-1-yl)sulfonylaniline?
The InChIKey is RZBSZEDKWZRDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2S/c1-8-4-2-3-5-16(8)19(17,18)11-7-9(14)6-10(15)12(11)13/h6-8H,2-5,15H2,1H3.
What are the key properties of 2-bromo-5-chloro-3-(2-methylpiperidin-1-yl)sulfonylaniline?
2-bromo-5-chloro-3-(2-methylpiperidin-1-yl)sulfonylaniline has a molecular weight of 367.70 g/mol, XLogP of 3.25, 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-methylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 55152333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).