N-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide

C16H16Br2N2O3S2 — CID 3640177

IUPACN-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C16H16Br2N2O3S2/c17-12-3-5-13(6-4-12)19-16(21)11-2-1-9-20(10-11)25(22,23)15-8-7-14(18)24-15/h3-8,11H,1-2,9-10H2,(H,19,21)
InChIKeyNNGJTDUIADNWNU-UHFFFAOYSA-N
MW508.26 g/mol
LogP4.31
Rot. Bonds4

About N-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide

N-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 3640177) has the molecular formula C16H16Br2N2O3S2 and a molecular weight of 508.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide
PubChem CID3640177
Molecular FormulaC16H16Br2N2O3S2
Molecular Weight508.26 g/mol
Exact Mass505.90
IUPAC NameN-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C16H16Br2N2O3S2/c17-12-3-5-13(6-4-12)19-16(21)11-2-1-9-20(10-11)25(22,23)15-8-7-14(18)24-15/h3-8,11H,1-2,9-10H2,(H,19,21)
InChIKeyNNGJTDUIADNWNU-UHFFFAOYSA-N
XLogP4.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.26
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide (CID 3640177) is N-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide is O=C(Nc1ccc(Br)cc1)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1.
What is the InChIKey of N-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is NNGJTDUIADNWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O3S2/c17-12-3-5-13(6-4-12)19-16(21)11-2-1-9-20(10-11)25(22,23)15-8-7-14(18)24-15/h3-8,11H,1-2,9-10H2,(H,19,21).
What are the key properties of N-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide?
N-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 508.26 g/mol, XLogP of 4.31, 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-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3640177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).