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

C9H11ClN2O4S — CID 18328781

IUPAC3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
SMILESNCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C9H11ClN2O4S/c10-6-1-3-7(4-2-6)17(15,16)12-8(5-11)9(13)14/h1-4,8,12H,5,11H2,(H,13,14)
InChIKeyGOACMRBWBKRNKF-UHFFFAOYSA-N
MW278.72 g/mol
LogP0.03
Rot. Bonds5

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

3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid (PubChem CID 18328781) has the molecular formula C9H11ClN2O4S and a molecular weight of 278.72 g/mol. Its IUPAC name is 3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
PubChem CID18328781
Molecular FormulaC9H11ClN2O4S
Molecular Weight278.72 g/mol
Exact Mass278.01
IUPAC Name3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
SMILESNCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C9H11ClN2O4S/c10-6-1-3-7(4-2-6)17(15,16)12-8(5-11)9(13)14/h1-4,8,12H,5,11H2,(H,13,14)
InChIKeyGOACMRBWBKRNKF-UHFFFAOYSA-N
XLogP0.03
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 21236350
(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-fluorobutanoic acid
CID 59001025
(2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 1112091
(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 7061989
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylsulfanylpropanoic acid
CID 7319023
(2R)-3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 7082008
3-amino-2-[(4-butoxyphenyl)sulfonylamino]propanoic acid
CID 54072667
3-amino-2-[(4-iodophenyl)sulfonylamino]propanoic acid;ethyl carbonochloridate
CID 174417184
4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoic acid
CID 58279902
(2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride
CID 70154426
N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid?
The IUPAC name of 3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid (CID 18328781) is 3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid is NCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid?
The InChIKey is GOACMRBWBKRNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O4S/c10-6-1-3-7(4-2-6)17(15,16)12-8(5-11)9(13)14/h1-4,8,12H,5,11H2,(H,13,14).
What are the key properties of 3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid?
3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid has a molecular weight of 278.72 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 18328781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).