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

C13H17ClN2O3S — CID 2369628

IUPAC(2R)-2-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESC[C@@H](Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C13H17ClN2O3S/c1-10(14)13(17)15-11-4-6-12(7-5-11)20(18,19)16-8-2-3-9-16/h4-7,10H,2-3,8-9H2,1H3,(H,15,17)/t10-/m1/s1
InChIKeyDSOBGUAOLYUXTM-SNVBAGLBSA-N
MW316.81 g/mol
LogP2.04
Rot. Bonds4

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

(2R)-2-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 2369628) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is (2R)-2-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID2369628
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name(2R)-2-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESC[C@@H](Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C13H17ClN2O3S/c1-10(14)13(17)15-11-4-6-12(7-5-11)20(18,19)16-8-2-3-9-16/h4-7,10H,2-3,8-9H2,1H3,(H,15,17)/t10-/m1/s1
InChIKeyDSOBGUAOLYUXTM-SNVBAGLBSA-N
XLogP2.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 52.04
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-piperidin-1-ylsulfonylphenyl)propanamide
CID 2113251
(2R)-2-(azepan-1-ium-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9110381
(2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide
CID 92660341
(2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 172616564
(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
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
(2R)-2-(2,6-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9297404
2-[1-(2-chlorophenyl)ethylamino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55352204
(2S)-2-(4-fluorophenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 7284377

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of (2R)-2-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 2369628) is (2R)-2-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for (2R)-2-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for (2R)-2-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is C[C@@H](Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of (2R)-2-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is DSOBGUAOLYUXTM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-10(14)13(17)15-11-4-6-12(7-5-11)20(18,19)16-8-2-3-9-16/h4-7,10H,2-3,8-9H2,1H3,(H,15,17)/t10-/m1/s1.
What are the key properties of (2R)-2-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
(2R)-2-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 316.81 g/mol, XLogP of 2.04, 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-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 2369628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).