(2R)-3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate

C16H15ClNO5S- — CID 2338691

IUPAC(2R)-3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
SMILESCOc1ccc(S(=O)(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1
InChIInChI=1S/C16H16ClNO5S/c1-23-13-6-8-14(9-7-13)24(21,22)18-15(16(19)20)10-11-2-4-12(17)5-3-11/h2-9,15,18H,10H2,1H3,(H,19,20)/p-1/t15-/m1/s1
InChIKeyUYZVOBZDHCEWGY-OAHLLOKOSA-M
MW368.82 g/mol
LogP0.99
Rot. Bonds7

About (2R)-3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate

(2R)-3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate (PubChem CID 2338691) has the molecular formula C16H15ClNO5S- and a molecular weight of 368.82 g/mol. Its IUPAC name is (2R)-3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(2R)-3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
PubChem CID2338691
Molecular FormulaC16H15ClNO5S-
Molecular Weight368.82 g/mol
Exact Mass368.04
IUPAC Name(2R)-3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
SMILESCOc1ccc(S(=O)(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1
InChIInChI=1S/C16H16ClNO5S/c1-23-13-6-8-14(9-7-13)24(21,22)18-15(16(19)20)10-11-2-4-12(17)5-3-11/h2-9,15,18H,10H2,1H3,(H,19,20)/p-1/t15-/m1/s1
InChIKeyUYZVOBZDHCEWGY-OAHLLOKOSA-M
XLogP0.99
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 5010476
(2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 1112091
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
(2S)-3-(4-methoxyphenyl)-N-methyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 101267303
2-[(3-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 4075518
(2R)-3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 7082008
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 40932005
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 2404775
ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 101017331
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890705
methyl 3-(4-chlorophenyl)-2-[(2,5-dimethoxyphenyl)sulfonylamino]propanoate
CID 3778391
ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5004126

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The IUPAC name of (2R)-3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate (CID 2338691) is (2R)-3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate.
What is the SMILES notation for (2R)-3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The canonical SMILES for (2R)-3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate is COc1ccc(S(=O)(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1.
What is the InChIKey of (2R)-3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The InChIKey is UYZVOBZDHCEWGY-OAHLLOKOSA-M. The full InChI is InChI=1S/C16H16ClNO5S/c1-23-13-6-8-14(9-7-13)24(21,22)18-15(16(19)20)10-11-2-4-12(17)5-3-11/h2-9,15,18H,10H2,1H3,(H,19,20)/p-1/t15-/m1/s1.
What are the key properties of (2R)-3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
(2R)-3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate has a molecular weight of 368.82 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 2338691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).