3-bromo-N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide

C16H15Br2ClN2O3S2 — CID 25033225

IUPAC3-bromo-N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide
SMILESO=C(c1ccc(Br)cc1NS(=O)(=O)c1sc(Cl)cc1Br)N1CCCCC1
InChIInChI=1S/C16H15Br2ClN2O3S2/c17-10-4-5-11(15(22)21-6-2-1-3-7-21)13(8-10)20-26(23,24)16-12(18)9-14(19)25-16/h4-5,8-9,20H,1-3,6-7H2
InChIKeySLBONUXSXZOLGP-UHFFFAOYSA-N
MW542.70 g/mol
LogP5.35
Rot. Bonds4

About 3-bromo-N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide

3-bromo-N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide (PubChem CID 25033225) has the molecular formula C16H15Br2ClN2O3S2 and a molecular weight of 542.70 g/mol. Its IUPAC name is 3-bromo-N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide
PubChem CID25033225
Molecular FormulaC16H15Br2ClN2O3S2
Molecular Weight542.70 g/mol
Exact Mass539.86
IUPAC Name3-bromo-N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide
SMILESO=C(c1ccc(Br)cc1NS(=O)(=O)c1sc(Cl)cc1Br)N1CCCCC1
InChIInChI=1S/C16H15Br2ClN2O3S2/c17-10-4-5-11(15(22)21-6-2-1-3-7-21)13(8-10)20-26(23,24)16-12(18)9-14(19)25-16/h4-5,8-9,20H,1-3,6-7H2
InChIKeySLBONUXSXZOLGP-UHFFFAOYSA-N
XLogP5.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.70
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 25033305
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CID 1284913
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CID 1210804
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CID 1305910
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CID 44445283
CID 44445283
CID 172435917
CID 172435917
CID 172437000
CID 172437000
CID 2333556
CID 2333556
CID 1006877
CID 1006877
CID 2334555
CID 2334555
CID 8843602
CID 8843602
CID 39432745
CID 39432745

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide (CID 25033225) is 3-bromo-N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide is O=C(c1ccc(Br)cc1NS(=O)(=O)c1sc(Cl)cc1Br)N1CCCCC1.
What is the InChIKey of 3-bromo-N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide?
The InChIKey is SLBONUXSXZOLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2ClN2O3S2/c17-10-4-5-11(15(22)21-6-2-1-3-7-21)13(8-10)20-26(23,24)16-12(18)9-14(19)25-16/h4-5,8-9,20H,1-3,6-7H2.
What are the key properties of 3-bromo-N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide?
3-bromo-N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide has a molecular weight of 542.70 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 25033225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).