2,3-diamino-3-(2-chlorophenyl)sulfonylpropanoic acid

C9H11ClN2O4S — CID 70070623

IUPAC2,3-diamino-3-(2-chlorophenyl)sulfonylpropanoic acid
SMILESNC(C(=O)O)C(N)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C9H11ClN2O4S/c10-5-3-1-2-4-6(5)17(15,16)8(12)7(11)9(13)14/h1-4,7-8H,11-12H2,(H,13,14)
InChIKeyNMEVHRQLPLTSRP-UHFFFAOYSA-N
MW278.72 g/mol
LogP-0.19
Rot. Bonds4

About 2,3-diamino-3-(2-chlorophenyl)sulfonylpropanoic acid

2,3-diamino-3-(2-chlorophenyl)sulfonylpropanoic acid (PubChem CID 70070623) has the molecular formula C9H11ClN2O4S and a molecular weight of 278.72 g/mol. Its IUPAC name is 2,3-diamino-3-(2-chlorophenyl)sulfonylpropanoic acid.

Molecular Properties

Compound Name2,3-diamino-3-(2-chlorophenyl)sulfonylpropanoic acid
PubChem CID70070623
Molecular FormulaC9H11ClN2O4S
Molecular Weight278.72 g/mol
Exact Mass278.01
IUPAC Name2,3-diamino-3-(2-chlorophenyl)sulfonylpropanoic acid
SMILESNC(C(=O)O)C(N)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C9H11ClN2O4S/c10-5-3-1-2-4-6(5)17(15,16)8(12)7(11)9(13)14/h1-4,7-8H,11-12H2,(H,13,14)
InChIKeyNMEVHRQLPLTSRP-UHFFFAOYSA-N
XLogP-0.19
TPSA123.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-3-(2-chlorophenyl)sulfonylpropanoic acid?
The IUPAC name of 2,3-diamino-3-(2-chlorophenyl)sulfonylpropanoic acid (CID 70070623) is 2,3-diamino-3-(2-chlorophenyl)sulfonylpropanoic acid.
What is the SMILES notation for 2,3-diamino-3-(2-chlorophenyl)sulfonylpropanoic acid?
The canonical SMILES for 2,3-diamino-3-(2-chlorophenyl)sulfonylpropanoic acid is NC(C(=O)O)C(N)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2,3-diamino-3-(2-chlorophenyl)sulfonylpropanoic acid?
The InChIKey is NMEVHRQLPLTSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O4S/c10-5-3-1-2-4-6(5)17(15,16)8(12)7(11)9(13)14/h1-4,7-8H,11-12H2,(H,13,14).
What are the key properties of 2,3-diamino-3-(2-chlorophenyl)sulfonylpropanoic acid?
2,3-diamino-3-(2-chlorophenyl)sulfonylpropanoic acid has a molecular weight of 278.72 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-3-(2-chlorophenyl)sulfonylpropanoic acid is sourced from PubChem (CID 70070623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).