2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

C13H17BrN2O3S — CID 60651214

IUPAC2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CBr)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C13H17BrN2O3S/c14-10-13(17)15-11-5-4-6-12(9-11)20(18,19)16-7-2-1-3-8-16/h4-6,9H,1-3,7-8,10H2,(H,15,17)
InChIKeyRBRZAVAOZSYXLP-UHFFFAOYSA-N
MW361.26 g/mol
LogP2.19
Rot. Bonds4

About 2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 60651214) has the molecular formula C13H17BrN2O3S and a molecular weight of 361.26 g/mol. Its IUPAC name is 2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID60651214
Molecular FormulaC13H17BrN2O3S
Molecular Weight361.26 g/mol
Exact Mass360.01
IUPAC Name2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CBr)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C13H17BrN2O3S/c14-10-13(17)15-11-5-4-6-12(9-11)20(18,19)16-7-2-1-3-8-16/h4-6,9H,1-3,7-8,10H2,(H,15,17)
InChIKeyRBRZAVAOZSYXLP-UHFFFAOYSA-N
XLogP2.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8894737
4-amino-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262517
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 35728244
2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8717458
2-naphthalen-1-yl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 7926207
2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119672230
2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9265434
2-benzylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 7377209
2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8614711
3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
CID 41484446

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (CID 60651214) is 2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is O=C(CBr)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is RBRZAVAOZSYXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3S/c14-10-13(17)15-11-5-4-6-12(9-11)20(18,19)16-7-2-1-3-8-16/h4-6,9H,1-3,7-8,10H2,(H,15,17).
What are the key properties of 2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 361.26 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 60651214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).