(2S)-1-(4-bromophenyl)sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide

C22H25BrN2O3S — CID 92887786

IUPAC(2S)-1-(4-bromophenyl)sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide
SMILESO=C(Nc1cccc2c1CCCC2)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C22H25BrN2O3S/c23-17-11-13-18(14-12-17)29(27,28)25-15-4-3-10-21(25)22(26)24-20-9-5-7-16-6-1-2-8-19(16)20/h5,7,9,11-14,21H,1-4,6,8,10,15H2,(H,24,26)/t21-/m0/s1
InChIKeyDSAIVVFOEKGSQU-NRFANRHFSA-N
MW477.42 g/mol
LogP4.51
Rot. Bonds4

About (2S)-1-(4-bromophenyl)sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide

(2S)-1-(4-bromophenyl)sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide (PubChem CID 92887786) has the molecular formula C22H25BrN2O3S and a molecular weight of 477.42 g/mol. Its IUPAC name is (2S)-1-(4-bromophenyl)sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-bromophenyl)sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide
PubChem CID92887786
Molecular FormulaC22H25BrN2O3S
Molecular Weight477.42 g/mol
Exact Mass476.08
IUPAC Name(2S)-1-(4-bromophenyl)sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide
SMILESO=C(Nc1cccc2c1CCCC2)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C22H25BrN2O3S/c23-17-11-13-18(14-12-17)29(27,28)25-15-4-3-10-21(25)22(26)24-20-9-5-7-16-6-1-2-8-19(16)20/h5,7,9,11-14,21H,1-4,6,8,10,15H2,(H,24,26)/t21-/m0/s1
InChIKeyDSAIVVFOEKGSQU-NRFANRHFSA-N
XLogP4.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
CID 24604772
1-(4-bromophenyl)sulfonyl-N-(4-fluoro-2-methylphenyl)piperidine-2-carboxamide
CID 50762358
(2S)-1-(4-bromophenyl)sulfonyl-N-(4-chloro-2-methylphenyl)piperidine-2-carboxamide
CID 92887761
1-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-2-carboxamide
CID 42933740
(2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide
CID 26026607
(2R)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide
CID 92887776
(2S)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide
CID 92887775
2-(4-methylphenyl)sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 53091355
(2R)-1-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)piperidine-2-carboxamide
CID 92887782
(2S)-1-(4-bromophenyl)sulfonyl-N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 42092272
1-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)piperidine-2-carboxamide
CID 50762317
(2S)-N-(3-chloro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40972131

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-bromophenyl)sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-bromophenyl)sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide (CID 92887786) is (2S)-1-(4-bromophenyl)sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-bromophenyl)sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-bromophenyl)sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide is O=C(Nc1cccc2c1CCCC2)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of (2S)-1-(4-bromophenyl)sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide?
The InChIKey is DSAIVVFOEKGSQU-NRFANRHFSA-N. The full InChI is InChI=1S/C22H25BrN2O3S/c23-17-11-13-18(14-12-17)29(27,28)25-15-4-3-10-21(25)22(26)24-20-9-5-7-16-6-1-2-8-19(16)20/h5,7,9,11-14,21H,1-4,6,8,10,15H2,(H,24,26)/t21-/m0/s1.
What are the key properties of (2S)-1-(4-bromophenyl)sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide?
(2S)-1-(4-bromophenyl)sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide has a molecular weight of 477.42 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-bromophenyl)sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide is sourced from PubChem (CID 92887786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).