(3S)-1-(4-bromophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-3-carboxamide

C20H23BrN2O3S — CID 25496863

IUPAC(3S)-1-(4-bromophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-3-carboxamide
SMILESCCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)c1ccccc1
InChIInChI=1S/C20H23BrN2O3S/c1-2-23(18-8-4-3-5-9-18)20(24)16-7-6-14-22(15-16)27(25,26)19-12-10-17(21)11-13-19/h3-5,8-13,16H,2,6-7,14-15H2,1H3/t16-/m0/s1
InChIKeyWYERMGVMRCKUFJ-INIZCTEOSA-N
MW451.39 g/mol
LogP3.90
Rot. Bonds5

About (3S)-1-(4-bromophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-3-carboxamide

(3S)-1-(4-bromophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-3-carboxamide (PubChem CID 25496863) has the molecular formula C20H23BrN2O3S and a molecular weight of 451.39 g/mol. Its IUPAC name is (3S)-1-(4-bromophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-bromophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-3-carboxamide
PubChem CID25496863
Molecular FormulaC20H23BrN2O3S
Molecular Weight451.39 g/mol
Exact Mass450.06
IUPAC Name(3S)-1-(4-bromophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-3-carboxamide
SMILESCCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)c1ccccc1
InChIInChI=1S/C20H23BrN2O3S/c1-2-23(18-8-4-3-5-9-18)20(24)16-7-6-14-22(15-16)27(25,26)19-12-10-17(21)11-13-19/h3-5,8-13,16H,2,6-7,14-15H2,1H3/t16-/m0/s1
InChIKeyWYERMGVMRCKUFJ-INIZCTEOSA-N
XLogP3.90
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-3-carboxamide
CID 42933337
N-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
CID 18089319
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-ethyl-N-phenylpiperidine-3-carboxamide
CID 51265846
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-4-carboxamide
CID 17473186
(3S)-1-(4-bromophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 38046855
[2-(N-ethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 46659401
ethyl (3R)-1-(4-bromophenyl)sulfonylpiperidine-3-carboxylate
CID 1345678
N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 18148402
(3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 41302198
(2S)-2-[[1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119028557
(4-benzylpiperidin-1-yl)-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]methanone
CID 126394359
azepan-1-yl-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]methanone
CID 41302489

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-bromophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-bromophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-3-carboxamide (CID 25496863) is (3S)-1-(4-bromophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-bromophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-bromophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-3-carboxamide is CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)c1ccccc1.
What is the InChIKey of (3S)-1-(4-bromophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-3-carboxamide?
The InChIKey is WYERMGVMRCKUFJ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23BrN2O3S/c1-2-23(18-8-4-3-5-9-18)20(24)16-7-6-14-22(15-16)27(25,26)19-12-10-17(21)11-13-19/h3-5,8-13,16H,2,6-7,14-15H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-1-(4-bromophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-3-carboxamide?
(3S)-1-(4-bromophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-3-carboxamide has a molecular weight of 451.39 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-bromophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 25496863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).