N-(2-bromo-3-chlorophenyl)-1-piperidin-4-ylmethanesulfonamide

C12H16BrClN2O2S — CID 103480494

IUPACN-(2-bromo-3-chlorophenyl)-1-piperidin-4-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCNCC1)Nc1cccc(Cl)c1Br
InChIInChI=1S/C12H16BrClN2O2S/c13-12-10(14)2-1-3-11(12)16-19(17,18)8-9-4-6-15-7-5-9/h1-3,9,15-16H,4-8H2
InChIKeyILIHYBZNIMEWFV-UHFFFAOYSA-N
MW367.70 g/mol
LogP2.84
Rot. Bonds4

About N-(2-bromo-3-chlorophenyl)-1-piperidin-4-ylmethanesulfonamide

N-(2-bromo-3-chlorophenyl)-1-piperidin-4-ylmethanesulfonamide (PubChem CID 103480494) has the molecular formula C12H16BrClN2O2S and a molecular weight of 367.70 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-1-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-1-piperidin-4-ylmethanesulfonamide
PubChem CID103480494
Molecular FormulaC12H16BrClN2O2S
Molecular Weight367.70 g/mol
Exact Mass365.98
IUPAC NameN-(2-bromo-3-chlorophenyl)-1-piperidin-4-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCNCC1)Nc1cccc(Cl)c1Br
InChIInChI=1S/C12H16BrClN2O2S/c13-12-10(14)2-1-3-11(12)16-19(17,18)8-9-4-6-15-7-5-9/h1-3,9,15-16H,4-8H2
InChIKeyILIHYBZNIMEWFV-UHFFFAOYSA-N
XLogP2.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.70
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-1-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-1-piperidin-4-ylmethanesulfonamide (CID 103480494) is N-(2-bromo-3-chlorophenyl)-1-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-1-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-1-piperidin-4-ylmethanesulfonamide is O=S(=O)(CC1CCNCC1)Nc1cccc(Cl)c1Br.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-1-piperidin-4-ylmethanesulfonamide?
The InChIKey is ILIHYBZNIMEWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2S/c13-12-10(14)2-1-3-11(12)16-19(17,18)8-9-4-6-15-7-5-9/h1-3,9,15-16H,4-8H2.
What are the key properties of N-(2-bromo-3-chlorophenyl)-1-piperidin-4-ylmethanesulfonamide?
N-(2-bromo-3-chlorophenyl)-1-piperidin-4-ylmethanesulfonamide has a molecular weight of 367.70 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-1-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 103480494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).