(2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid

C15H13Cl2NO4S — CID 1112091

IUPAC(2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
SMILESO=C(O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NO4S/c16-11-3-1-10(2-4-11)9-14(15(19)20)18-23(21,22)13-7-5-12(17)6-8-13/h1-8,14,18H,9H2,(H,19,20)/t14-/m0/s1
InChIKeyMBKIFDZRLANKGM-AWEZNQCLSA-N
MW374.25 g/mol
LogP2.97
Rot. Bonds6

About (2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid

(2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid (PubChem CID 1112091) has the molecular formula C15H13Cl2NO4S and a molecular weight of 374.25 g/mol. Its IUPAC name is (2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
PubChem CID1112091
Molecular FormulaC15H13Cl2NO4S
Molecular Weight374.25 g/mol
Exact Mass372.99
IUPAC Name(2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
SMILESO=C(O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NO4S/c16-11-3-1-10(2-4-11)9-14(15(19)20)18-23(21,22)13-7-5-12(17)6-8-13/h1-8,14,18H,9H2,(H,19,20)/t14-/m0/s1
InChIKeyMBKIFDZRLANKGM-AWEZNQCLSA-N
XLogP2.97
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 7082008
3-chloro-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 21236350
3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 18328781
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide
CID 41374224
(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-fluorobutanoic acid
CID 59001025
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 7061989
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylsulfanylpropanoic acid
CID 7319023
2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 43827519
methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 5010476
(2R)-3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 2338691
ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5004126

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid?
The IUPAC name of (2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid (CID 1112091) is (2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid?
The canonical SMILES for (2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid is O=C(O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid?
The InChIKey is MBKIFDZRLANKGM-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H13Cl2NO4S/c16-11-3-1-10(2-4-11)9-14(15(19)20)18-23(21,22)13-7-5-12(17)6-8-13/h1-8,14,18H,9H2,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid?
(2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid has a molecular weight of 374.25 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 1112091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).