2-[[5-chloro-2-methoxy-3-(methylcarbamoyl)phenyl]sulfonyl-propylamino]acetic acid

C14H19ClN2O6S — CID 120968899

IUPAC2-[[5-chloro-2-methoxy-3-(methylcarbamoyl)phenyl]sulfonyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC
InChIInChI=1S/C14H19ClN2O6S/c1-4-5-17(8-12(18)19)24(21,22)11-7-9(15)6-10(13(11)23-3)14(20)16-2/h6-7H,4-5,8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyGQSDGXVDIDGJMG-UHFFFAOYSA-N
MW378.83 g/mol
LogP1.19
Rot. Bonds8

About 2-[[5-chloro-2-methoxy-3-(methylcarbamoyl)phenyl]sulfonyl-propylamino]acetic acid

2-[[5-chloro-2-methoxy-3-(methylcarbamoyl)phenyl]sulfonyl-propylamino]acetic acid (PubChem CID 120968899) has the molecular formula C14H19ClN2O6S and a molecular weight of 378.83 g/mol. Its IUPAC name is 2-[[5-chloro-2-methoxy-3-(methylcarbamoyl)phenyl]sulfonyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-chloro-2-methoxy-3-(methylcarbamoyl)phenyl]sulfonyl-propylamino]acetic acid
PubChem CID120968899
Molecular FormulaC14H19ClN2O6S
Molecular Weight378.83 g/mol
Exact Mass378.07
IUPAC Name2-[[5-chloro-2-methoxy-3-(methylcarbamoyl)phenyl]sulfonyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC
InChIInChI=1S/C14H19ClN2O6S/c1-4-5-17(8-12(18)19)24(21,22)11-7-9(15)6-10(13(11)23-3)14(20)16-2/h6-7H,4-5,8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyGQSDGXVDIDGJMG-UHFFFAOYSA-N
XLogP1.19
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-chloro-2-methoxy-3-(methylcarbamoyl)phenyl]sulfonyl-methylamino]propanoic acid
CID 120968912
2-[(4-chloro-2-methoxyphenyl)sulfonyl-propylamino]acetic acid
CID 61007535
5-chloro-3-[ethyl(methyl)sulfamoyl]-2-methoxybenzoic acid
CID 43510560
(2R)-2-[[5-chloro-2-methoxy-3-(methylcarbamoyl)phenyl]sulfonylamino]-3-methylbutanoic acid
CID 120968760
3,5-dichloro-2-methoxy-N-methylbenzamide
CID 116827624
2-[(2,4-dimethoxyphenyl)sulfonyl-propylamino]acetic acid
CID 61008795
5-chloro-3-[ethyl(propyl)sulfamoyl]-2-fluorobenzoic acid
CID 43268489
5-chloro-2-methoxy-3-[methyl(2-methylsulfanylethyl)sulfamoyl]benzoic acid
CID 115985481
2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid
CID 114533570
5-chloro-2-methoxy-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368556
5-chloro-3-[ethyl(2-methoxyethyl)sulfamoyl]-2-fluorobenzoic acid
CID 61446481
5-chloro-2-methoxy-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid
CID 43510528

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-methoxy-3-(methylcarbamoyl)phenyl]sulfonyl-propylamino]acetic acid?
The IUPAC name of 2-[[5-chloro-2-methoxy-3-(methylcarbamoyl)phenyl]sulfonyl-propylamino]acetic acid (CID 120968899) is 2-[[5-chloro-2-methoxy-3-(methylcarbamoyl)phenyl]sulfonyl-propylamino]acetic acid.
What is the SMILES notation for 2-[[5-chloro-2-methoxy-3-(methylcarbamoyl)phenyl]sulfonyl-propylamino]acetic acid?
The canonical SMILES for 2-[[5-chloro-2-methoxy-3-(methylcarbamoyl)phenyl]sulfonyl-propylamino]acetic acid is CCCN(CC(=O)O)S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC.
What is the InChIKey of 2-[[5-chloro-2-methoxy-3-(methylcarbamoyl)phenyl]sulfonyl-propylamino]acetic acid?
The InChIKey is GQSDGXVDIDGJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O6S/c1-4-5-17(8-12(18)19)24(21,22)11-7-9(15)6-10(13(11)23-3)14(20)16-2/h6-7H,4-5,8H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[5-chloro-2-methoxy-3-(methylcarbamoyl)phenyl]sulfonyl-propylamino]acetic acid?
2-[[5-chloro-2-methoxy-3-(methylcarbamoyl)phenyl]sulfonyl-propylamino]acetic acid has a molecular weight of 378.83 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-methoxy-3-(methylcarbamoyl)phenyl]sulfonyl-propylamino]acetic acid is sourced from PubChem (CID 120968899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).