N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C16H17BrN2O3S2 — CID 4810583

IUPACN-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H17BrN2O3S2/c17-13-3-5-14(6-4-13)18-16(20)12-7-9-19(10-8-12)24(21,22)15-2-1-11-23-15/h1-6,11-12H,7-10H2,(H,18,20)
InChIKeyGAPLBTJDSANJNH-UHFFFAOYSA-N
MW429.36 g/mol
LogP3.55
Rot. Bonds4

About N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 4810583) has the molecular formula C16H17BrN2O3S2 and a molecular weight of 429.36 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID4810583
Molecular FormulaC16H17BrN2O3S2
Molecular Weight429.36 g/mol
Exact Mass427.99
IUPAC NameN-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H17BrN2O3S2/c17-13-3-5-14(6-4-13)18-16(20)12-7-9-19(10-8-12)24(21,22)15-2-1-11-23-15/h1-6,11-12H,7-10H2,(H,18,20)
InChIKeyGAPLBTJDSANJNH-UHFFFAOYSA-N
XLogP3.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2388200
N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9259749
N-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 3640172
N-(3,5-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7960898
N-(4-bromophenyl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 16803661
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26894111
N-(3-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26665541
N-[(4-bromophenyl)-cyclobutylmethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55916501
N-(4-bromophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 166626240
N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810884
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 38010763
N-(4-acetamidophenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 1316590

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 4810583) is N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is GAPLBTJDSANJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S2/c17-13-3-5-14(6-4-13)18-16(20)12-7-9-19(10-8-12)24(21,22)15-2-1-11-23-15/h1-6,11-12H,7-10H2,(H,18,20).
What are the key properties of N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 429.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4810583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).