(2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

C14H19ClN2O3S — CID 2113251

IUPAC(2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESC[C@@H](Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H19ClN2O3S/c1-11(15)14(18)16-12-5-7-13(8-6-12)21(19,20)17-9-3-2-4-10-17/h5-8,11H,2-4,9-10H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyHMHSTTNHDAJTHF-LLVKDONJSA-N
MW330.84 g/mol
LogP2.43
Rot. Bonds4

About (2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

(2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 2113251) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is (2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID2113251
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name(2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESC[C@@H](Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H19ClN2O3S/c1-11(15)14(18)16-12-5-7-13(8-6-12)21(19,20)17-9-3-2-4-10-17/h5-8,11H,2-4,9-10H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyHMHSTTNHDAJTHF-LLVKDONJSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2369628
(2R)-2-(azepan-1-ium-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9110381
(2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 172616564
2-(4-chlorophenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 4943957
cyclooctyl-[(2R)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]azanium
CID 7509633
2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2948246
2-[1-(2-chlorophenyl)ethylamino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55352204
(2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide
CID 92660341
1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)urea
CID 1011433
(2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-2-phenylacetamide
CID 2210421
(2S)-2-cyclopentylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 7825678
(2S)-2-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 41157437

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of (2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 2113251) is (2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for (2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for (2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is C[C@@H](Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of (2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is HMHSTTNHDAJTHF-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-11(15)14(18)16-12-5-7-13(8-6-12)21(19,20)17-9-3-2-4-10-17/h5-8,11H,2-4,9-10H2,1H3,(H,16,18)/t11-/m1/s1.
What are the key properties of (2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
(2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 330.84 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 2113251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).