(2S)-2-(2-chlorophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C14H18ClNO4S — CID 94027230

IUPAC(2S)-2-(2-chlorophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESC[C@@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H18ClNO4S/c1-10(14(17)16-9-11-5-4-8-20-11)21(18,19)13-7-3-2-6-12(13)15/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,16,17)/t10-,11-/m0/s1
InChIKeyBINPOKATQUOLCF-QWRGUYRKSA-N
MW331.82 g/mol
LogP1.80
Rot. Bonds5

About (2S)-2-(2-chlorophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide

(2S)-2-(2-chlorophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 94027230) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID94027230
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name(2S)-2-(2-chlorophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESC[C@@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H18ClNO4S/c1-10(14(17)16-9-11-5-4-8-20-11)21(18,19)13-7-3-2-6-12(13)15/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,16,17)/t10-,11-/m0/s1
InChIKeyBINPOKATQUOLCF-QWRGUYRKSA-N
XLogP1.80
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfonylpropanamide
CID 94027204
(2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94067063
2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17249245
(2S)-2-(2,3-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42561363
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-[(2-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17491650
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124748989
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 8991586
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 8991497
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7394619
2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 2932985

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2S)-2-(2-chlorophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 94027230) is (2S)-2-(2-chlorophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-(2-chlorophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide is C[C@@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of (2S)-2-(2-chlorophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is BINPOKATQUOLCF-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c1-10(14(17)16-9-11-5-4-8-20-11)21(18,19)13-7-3-2-6-12(13)15/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,16,17)/t10-,11-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
(2S)-2-(2-chlorophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 331.82 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 94027230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).