tert-butyl (2R)-2-[(2-chloro-4-methylphenyl)sulfonylamino]propanoate

C14H20ClNO4S — CID 80998367

IUPACtert-butyl (2R)-2-[(2-chloro-4-methylphenyl)sulfonylamino]propanoate
SMILESCc1ccc(S(=O)(=O)N[C@H](C)C(=O)OC(C)(C)C)c(Cl)c1
InChIInChI=1S/C14H20ClNO4S/c1-9-6-7-12(11(15)8-9)21(18,19)16-10(2)13(17)20-14(3,4)5/h6-8,10,16H,1-5H3/t10-/m1/s1
InChIKeyLBZZEFRGSYYWEN-SNVBAGLBSA-N
MW333.84 g/mol
LogP2.66
Rot. Bonds4

About tert-butyl (2R)-2-[(2-chloro-4-methylphenyl)sulfonylamino]propanoate

tert-butyl (2R)-2-[(2-chloro-4-methylphenyl)sulfonylamino]propanoate (PubChem CID 80998367) has the molecular formula C14H20ClNO4S and a molecular weight of 333.84 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(2-chloro-4-methylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(2-chloro-4-methylphenyl)sulfonylamino]propanoate
PubChem CID80998367
Molecular FormulaC14H20ClNO4S
Molecular Weight333.84 g/mol
Exact Mass333.08
IUPAC Nametert-butyl (2R)-2-[(2-chloro-4-methylphenyl)sulfonylamino]propanoate
SMILESCc1ccc(S(=O)(=O)N[C@H](C)C(=O)OC(C)(C)C)c(Cl)c1
InChIInChI=1S/C14H20ClNO4S/c1-9-6-7-12(11(15)8-9)21(18,19)16-10(2)13(17)20-14(3,4)5/h6-8,10,16H,1-5H3/t10-/m1/s1
InChIKeyLBZZEFRGSYYWEN-SNVBAGLBSA-N
XLogP2.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide
CID 75841470
tert-butyl (2S)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]propanoate
CID 106546567
tert-butyl (2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]propanoate
CID 106546545
N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide
CID 63732403
3-[(2-chloro-4-methylphenyl)sulfonylamino]butanoic acid
CID 43242416
tert-butyl (2R)-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoate
CID 103100600
N-butan-2-yl-2-chloro-4-methylbenzenesulfonamide
CID 47142063
tert-butyl (2R)-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoate
CID 81005814
ethyl 2-[(2-amino-4-methylphenyl)sulfonylamino]propanoate
CID 61498584
N'-(2-chloro-4-methylphenyl)sulfonyl-2-methylpropanehydrazide
CID 24629157
(2S)-2-[(2-chloro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935068
(2S)-5-amino-2-[(2-chloro-4-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141634

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(2-chloro-4-methylphenyl)sulfonylamino]propanoate?
The IUPAC name of tert-butyl (2R)-2-[(2-chloro-4-methylphenyl)sulfonylamino]propanoate (CID 80998367) is tert-butyl (2R)-2-[(2-chloro-4-methylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[(2-chloro-4-methylphenyl)sulfonylamino]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[(2-chloro-4-methylphenyl)sulfonylamino]propanoate is Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)OC(C)(C)C)c(Cl)c1.
What is the InChIKey of tert-butyl (2R)-2-[(2-chloro-4-methylphenyl)sulfonylamino]propanoate?
The InChIKey is LBZZEFRGSYYWEN-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20ClNO4S/c1-9-6-7-12(11(15)8-9)21(18,19)16-10(2)13(17)20-14(3,4)5/h6-8,10,16H,1-5H3/t10-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(2-chloro-4-methylphenyl)sulfonylamino]propanoate?
tert-butyl (2R)-2-[(2-chloro-4-methylphenyl)sulfonylamino]propanoate has a molecular weight of 333.84 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(2-chloro-4-methylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 80998367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).