2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid

C10H12ClNO5S — CID 81076518

IUPAC2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid
SMILESCOCC(NS(=O)(=O)c1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C10H12ClNO5S/c1-17-6-9(10(13)14)12-18(15,16)8-4-2-3-7(11)5-8/h2-5,9,12H,6H2,1H3,(H,13,14)
InChIKeyABLDUJNSBWMYEL-UHFFFAOYSA-N
MW293.73 g/mol
LogP0.72
Rot. Bonds6

About 2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid

2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid (PubChem CID 81076518) has the molecular formula C10H12ClNO5S and a molecular weight of 293.73 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid
PubChem CID81076518
Molecular FormulaC10H12ClNO5S
Molecular Weight293.73 g/mol
Exact Mass293.01
IUPAC Name2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid
SMILESCOCC(NS(=O)(=O)c1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C10H12ClNO5S/c1-17-6-9(10(13)14)12-18(15,16)8-4-2-3-7(11)5-8/h2-5,9,12H,6H2,1H3,(H,13,14)
InChIKeyABLDUJNSBWMYEL-UHFFFAOYSA-N
XLogP0.72
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
CID 43631155
2-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 43386716
4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084159
2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-3-methoxypropanoic acid
CID 166224314
2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43084241
3-methoxy-2-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 81078841
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-3-methylbutanamide
CID 24538514
2-[(4-bromo-3-methylphenyl)sulfonylamino]-3-methoxypropanoic acid
CID 81078037
(2R)-2-[(3-chlorophenyl)sulfonylamino]-N-hydroxyhexanamide
CID 131856473
(2R)-3-hydroxy-2-[(3-methoxyphenyl)sulfonylamino]propanoic acid
CID 69117008
3-methoxy-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 81086028
N-(3-chlorophenyl)sulfonyl-2-methylpropanamide
CID 47269833

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid (CID 81076518) is 2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid is COCC(NS(=O)(=O)c1cccc(Cl)c1)C(=O)O.
What is the InChIKey of 2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid?
The InChIKey is ABLDUJNSBWMYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO5S/c1-17-6-9(10(13)14)12-18(15,16)8-4-2-3-7(11)5-8/h2-5,9,12H,6H2,1H3,(H,13,14).
What are the key properties of 2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid?
2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid has a molecular weight of 293.73 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid is sourced from PubChem (CID 81076518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).