1-[4-[(5-bromothiophen-2-yl)sulfonylamino]benzoyl]piperidine-4-carboxamide

C17H18BrN3O4S2 — CID 4855305

IUPAC1-[4-[(5-bromothiophen-2-yl)sulfonylamino]benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2)CC1
InChIInChI=1S/C17H18BrN3O4S2/c18-14-5-6-15(26-14)27(24,25)20-13-3-1-12(2-4-13)17(23)21-9-7-11(8-10-21)16(19)22/h1-6,11,20H,7-10H2,(H2,19,22)
InChIKeyHDHFVYKKSSAWOX-UHFFFAOYSA-N
MW472.39 g/mol
LogP2.65
Rot. Bonds5

About 1-[4-[(5-bromothiophen-2-yl)sulfonylamino]benzoyl]piperidine-4-carboxamide

1-[4-[(5-bromothiophen-2-yl)sulfonylamino]benzoyl]piperidine-4-carboxamide (PubChem CID 4855305) has the molecular formula C17H18BrN3O4S2 and a molecular weight of 472.39 g/mol. Its IUPAC name is 1-[4-[(5-bromothiophen-2-yl)sulfonylamino]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(5-bromothiophen-2-yl)sulfonylamino]benzoyl]piperidine-4-carboxamide
PubChem CID4855305
Molecular FormulaC17H18BrN3O4S2
Molecular Weight472.39 g/mol
Exact Mass470.99
IUPAC Name1-[4-[(5-bromothiophen-2-yl)sulfonylamino]benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2)CC1
InChIInChI=1S/C17H18BrN3O4S2/c18-14-5-6-15(26-14)27(24,25)20-13-3-1-12(2-4-13)17(23)21-9-7-11(8-10-21)16(19)22/h1-6,11,20H,7-10H2,(H2,19,22)
InChIKeyHDHFVYKKSSAWOX-UHFFFAOYSA-N
XLogP2.65
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(5-bromothiophen-2-yl)sulfonylamino]benzoyl]piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-bromothiophen-2-yl)sulfonylamino]benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[(5-bromothiophen-2-yl)sulfonylamino]benzoyl]piperidine-4-carboxamide (CID 4855305) is 1-[4-[(5-bromothiophen-2-yl)sulfonylamino]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[(5-bromothiophen-2-yl)sulfonylamino]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[(5-bromothiophen-2-yl)sulfonylamino]benzoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2)CC1.
What is the InChIKey of 1-[4-[(5-bromothiophen-2-yl)sulfonylamino]benzoyl]piperidine-4-carboxamide?
The InChIKey is HDHFVYKKSSAWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O4S2/c18-14-5-6-15(26-14)27(24,25)20-13-3-1-12(2-4-13)17(23)21-9-7-11(8-10-21)16(19)22/h1-6,11,20H,7-10H2,(H2,19,22).
What are the key properties of 1-[4-[(5-bromothiophen-2-yl)sulfonylamino]benzoyl]piperidine-4-carboxamide?
1-[4-[(5-bromothiophen-2-yl)sulfonylamino]benzoyl]piperidine-4-carboxamide has a molecular weight of 472.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-bromothiophen-2-yl)sulfonylamino]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 4855305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).