pyridin-2-ylmethyl (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate

C15H15ClN2O4S — CID 55941598

IUPACpyridin-2-ylmethyl (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1ccccn1
InChIInChI=1S/C15H15ClN2O4S/c1-11(15(19)22-10-13-4-2-3-9-17-13)18-23(20,21)14-7-5-12(16)6-8-14/h2-9,11,18H,10H2,1H3/t11-/m0/s1
InChIKeyHXJAIJIPRWOWIS-NSHDSACASA-N
MW354.82 g/mol
LogP2.15
Rot. Bonds6

About pyridin-2-ylmethyl (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate

pyridin-2-ylmethyl (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate (PubChem CID 55941598) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is pyridin-2-ylmethyl (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namepyridin-2-ylmethyl (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
PubChem CID55941598
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Namepyridin-2-ylmethyl (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1ccccn1
InChIInChI=1S/C15H15ClN2O4S/c1-11(15(19)22-10-13-4-2-3-9-17-13)18-23(20,21)14-7-5-12(16)6-8-14/h2-9,11,18H,10H2,1H3/t11-/m0/s1
InChIKeyHXJAIJIPRWOWIS-NSHDSACASA-N
XLogP2.15
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-2-ylmethyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate
CID 43008735
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 55321964
[2-(methylamino)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841754
pyridin-2-ylmethyl 2-aminopropanoate
CID 83529934
2-(4-chlorophenoxy)ethyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 8844031
pyridin-2-ylmethyl 2-trimethylsilylpropanoate
CID 11962005
(2R)-3-methyl-2-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]sulfonylamino]butanoic acid
CID 57390232
(1-cyanoindolizin-2-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 42936714
[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 24562672
[2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841962
N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate?
The IUPAC name of pyridin-2-ylmethyl (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate (CID 55941598) is pyridin-2-ylmethyl (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for pyridin-2-ylmethyl (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for pyridin-2-ylmethyl (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate is C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1ccccn1.
What is the InChIKey of pyridin-2-ylmethyl (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate?
The InChIKey is HXJAIJIPRWOWIS-NSHDSACASA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-11(15(19)22-10-13-4-2-3-9-17-13)18-23(20,21)14-7-5-12(16)6-8-14/h2-9,11,18H,10H2,1H3/t11-/m0/s1.
What are the key properties of pyridin-2-ylmethyl (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate?
pyridin-2-ylmethyl (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate has a molecular weight of 354.82 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 55941598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).