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

C9H11ClN2O4S — CID 22991804

IUPAC2,3-diamino-2-(3-chlorophenyl)sulfonylpropanoic acid
SMILESNCC(N)(C(=O)O)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H11ClN2O4S/c10-6-2-1-3-7(4-6)17(15,16)9(12,5-11)8(13)14/h1-4H,5,11-12H2,(H,13,14)
InChIKeyLZFBNOOEFUGLIP-UHFFFAOYSA-N
MW278.72 g/mol
LogP-0.19
Rot. Bonds4

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

2,3-diamino-2-(3-chlorophenyl)sulfonylpropanoic acid (PubChem CID 22991804) has the molecular formula C9H11ClN2O4S and a molecular weight of 278.72 g/mol. Its IUPAC name is 2,3-diamino-2-(3-chlorophenyl)sulfonylpropanoic acid.

Molecular Properties

Compound Name2,3-diamino-2-(3-chlorophenyl)sulfonylpropanoic acid
PubChem CID22991804
Molecular FormulaC9H11ClN2O4S
Molecular Weight278.72 g/mol
Exact Mass278.01
IUPAC Name2,3-diamino-2-(3-chlorophenyl)sulfonylpropanoic acid
SMILESNCC(N)(C(=O)O)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H11ClN2O4S/c10-6-2-1-3-7(4-6)17(15,16)9(12,5-11)8(13)14/h1-4H,5,11-12H2,(H,13,14)
InChIKeyLZFBNOOEFUGLIP-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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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide
CID 79652238
(3-chlorophenyl)sulfonylurea
CID 117060605
4-[(3-chlorophenyl)sulfonylmethyl]benzoic acid
CID 62646802
2-[[bis(3-chlorophenyl)-oxo-λ6-sulfanylidene]amino]acetic acid
CID 155190385
potassium 3-chlorobenzenesulfonamide
CID 19353487
4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084159
(3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane
CID 134690739
3-(3-chlorophenyl)sulfonylpropan-1-amine
CID 28753143
(3-chlorophenyl)sulfonylmethyl acetate
CID 151338896
acetic acid;(3-chlorophenyl)methanamine
CID 174881740
1,3-bis[(3-chlorophenyl)sulfonyl]urea
CID 155928665
3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid
CID 174539221

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-2-(3-chlorophenyl)sulfonylpropanoic acid?
The IUPAC name of 2,3-diamino-2-(3-chlorophenyl)sulfonylpropanoic acid (CID 22991804) is 2,3-diamino-2-(3-chlorophenyl)sulfonylpropanoic acid.
What is the SMILES notation for 2,3-diamino-2-(3-chlorophenyl)sulfonylpropanoic acid?
The canonical SMILES for 2,3-diamino-2-(3-chlorophenyl)sulfonylpropanoic acid is NCC(N)(C(=O)O)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 2,3-diamino-2-(3-chlorophenyl)sulfonylpropanoic acid?
The InChIKey is LZFBNOOEFUGLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O4S/c10-6-2-1-3-7(4-6)17(15,16)9(12,5-11)8(13)14/h1-4H,5,11-12H2,(H,13,14).
What are the key properties of 2,3-diamino-2-(3-chlorophenyl)sulfonylpropanoic acid?
2,3-diamino-2-(3-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-2-(3-chlorophenyl)sulfonylpropanoic acid is sourced from PubChem (CID 22991804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).