N-[4-(4-bromo-3-methylpiperidin-1-yl)sulfonylphenyl]acetamide

C14H19BrN2O3S — CID 114683689

IUPACN-[4-(4-bromo-3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(Br)C(C)C2)cc1
InChIInChI=1S/C14H19BrN2O3S/c1-10-9-17(8-7-14(10)15)21(19,20)13-5-3-12(4-6-13)16-11(2)18/h3-6,10,14H,7-9H2,1-2H3,(H,16,18)
InChIKeyDYYAEYVISBXYBE-UHFFFAOYSA-N
MW375.29 g/mol
LogP2.44
Rot. Bonds3

About N-[4-(4-bromo-3-methylpiperidin-1-yl)sulfonylphenyl]acetamide

N-[4-(4-bromo-3-methylpiperidin-1-yl)sulfonylphenyl]acetamide (PubChem CID 114683689) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is N-[4-(4-bromo-3-methylpiperidin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-bromo-3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
PubChem CID114683689
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC NameN-[4-(4-bromo-3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(Br)C(C)C2)cc1
InChIInChI=1S/C14H19BrN2O3S/c1-10-9-17(8-7-14(10)15)21(19,20)13-5-3-12(4-6-13)16-11(2)18/h3-6,10,14H,7-9H2,1-2H3,(H,16,18)
InChIKeyDYYAEYVISBXYBE-UHFFFAOYSA-N
XLogP2.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(4-bromo-3-methylpiperidin-1-yl)sulfonylphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-1-(4-bromophenyl)sulfonyl-3-methylpiperidine
CID 114683729
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
N-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 22273336
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
N-(4-acetamidophenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 1316590
N-[4-[(6-oxo-7-propan-2-yl-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepin-2-yl)sulfonyl]phenyl]acetamide
CID 74505865
N-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119974725
N-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 26947333
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
N-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 41009001

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromo-3-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of N-[4-(4-bromo-3-methylpiperidin-1-yl)sulfonylphenyl]acetamide (CID 114683689) is N-[4-(4-bromo-3-methylpiperidin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-(4-bromo-3-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-(4-bromo-3-methylpiperidin-1-yl)sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Br)C(C)C2)cc1.
What is the InChIKey of N-[4-(4-bromo-3-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is DYYAEYVISBXYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3S/c1-10-9-17(8-7-14(10)15)21(19,20)13-5-3-12(4-6-13)16-11(2)18/h3-6,10,14H,7-9H2,1-2H3,(H,16,18).
What are the key properties of N-[4-(4-bromo-3-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
N-[4-(4-bromo-3-methylpiperidin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 375.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromo-3-methylpiperidin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 114683689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).