N-(4-bromophenyl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide

C16H16BrClN2O3S2 — CID 16803661

IUPACN-(4-bromophenyl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C16H16BrClN2O3S2/c17-12-1-3-13(4-2-12)19-16(21)11-7-9-20(10-8-11)25(22,23)15-6-5-14(18)24-15/h1-6,11H,7-10H2,(H,19,21)
InChIKeyMUCHTJOLHZQKEJ-UHFFFAOYSA-N
MW463.81 g/mol
LogP4.20
Rot. Bonds4

About N-(4-bromophenyl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide

N-(4-bromophenyl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 16803661) has the molecular formula C16H16BrClN2O3S2 and a molecular weight of 463.81 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
PubChem CID16803661
Molecular FormulaC16H16BrClN2O3S2
Molecular Weight463.81 g/mol
Exact Mass461.95
IUPAC NameN-(4-bromophenyl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C16H16BrClN2O3S2/c17-12-1-3-13(4-2-12)19-16(21)11-7-9-20(10-8-11)25(22,23)15-6-5-14(18)24-15/h1-6,11H,7-10H2,(H,19,21)
InChIKeyMUCHTJOLHZQKEJ-UHFFFAOYSA-N
XLogP4.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.81
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 3640172
N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810583
N-(4-bromophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 166626240
1-(5-bromothiophen-2-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 15989573
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 16830594
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)piperidine-4-carboxamide
CID 16830604
N-(4-acetylphenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 42999460
1-(5-chlorothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 113002500
1-(5-bromothiophen-2-yl)sulfonyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 43025510
1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
CID 63846418
1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 18078359
N-(4-acetamidophenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 1316590

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide (CID 16803661) is N-(4-bromophenyl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide is O=C(Nc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of N-(4-bromophenyl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is MUCHTJOLHZQKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O3S2/c17-12-1-3-13(4-2-12)19-16(21)11-7-9-20(10-8-11)25(22,23)15-6-5-14(18)24-15/h1-6,11H,7-10H2,(H,19,21).
What are the key properties of N-(4-bromophenyl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?
N-(4-bromophenyl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 463.81 g/mol, XLogP of 4.20, 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-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 16803661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).