(3R)-N-(4-bromo-2-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide

C19H19BrF2N2O3S — CID 92642245

IUPAC(3R)-N-(4-bromo-2-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H19BrF2N2O3S/c20-15-5-8-18(17(22)10-15)23-19(25)14-2-1-9-24(11-14)28(26,27)12-13-3-6-16(21)7-4-13/h3-8,10,14H,1-2,9,11-12H2,(H,23,25)/t14-/m1/s1
InChIKeyYHUJTZGMPWPRCX-CQSZACIVSA-N
MW473.34 g/mol
LogP3.91
Rot. Bonds5

About (3R)-N-(4-bromo-2-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide

(3R)-N-(4-bromo-2-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide (PubChem CID 92642245) has the molecular formula C19H19BrF2N2O3S and a molecular weight of 473.34 g/mol. Its IUPAC name is (3R)-N-(4-bromo-2-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-bromo-2-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
PubChem CID92642245
Molecular FormulaC19H19BrF2N2O3S
Molecular Weight473.34 g/mol
Exact Mass472.03
IUPAC Name(3R)-N-(4-bromo-2-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H19BrF2N2O3S/c20-15-5-8-18(17(22)10-15)23-19(25)14-2-1-9-24(11-14)28(26,27)12-13-3-6-16(21)7-4-13/h3-8,10,14H,1-2,9,11-12H2,(H,23,25)/t14-/m1/s1
InChIKeyYHUJTZGMPWPRCX-CQSZACIVSA-N
XLogP3.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 26690844
(3S)-1-(benzenesulfonyl)-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide
CID 27160447
(3S)-N-(3-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92642216
N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 50810841
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 50811103
(3S)-1-[(4-fluorophenyl)methylsulfonyl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 92642100
N-(4-bromo-2-fluorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46770290
(3R)-N-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92642191
1-benzylsulfonyl-N-(2-bromophenyl)piperidine-3-carboxamide
CID 50808819
(3S)-N-(2,4-difluorophenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92683451
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92642225
1-[(4-chlorophenyl)methylsulfonyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 50810945

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-bromo-2-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-bromo-2-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide (CID 92642245) is (3R)-N-(4-bromo-2-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-bromo-2-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-bromo-2-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide is O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of (3R)-N-(4-bromo-2-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide?
The InChIKey is YHUJTZGMPWPRCX-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19BrF2N2O3S/c20-15-5-8-18(17(22)10-15)23-19(25)14-2-1-9-24(11-14)28(26,27)12-13-3-6-16(21)7-4-13/h3-8,10,14H,1-2,9,11-12H2,(H,23,25)/t14-/m1/s1.
What are the key properties of (3R)-N-(4-bromo-2-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide?
(3R)-N-(4-bromo-2-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide has a molecular weight of 473.34 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-bromo-2-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 92642245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).