4-chloro-3-(2-methoxyethylsulfonylamino)benzoic acid

C10H12ClNO5S — CID 55010075

IUPAC4-chloro-3-(2-methoxyethylsulfonylamino)benzoic acid
SMILESCOCCS(=O)(=O)Nc1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C10H12ClNO5S/c1-17-4-5-18(15,16)12-9-6-7(10(13)14)2-3-8(9)11/h2-3,6,12H,4-5H2,1H3,(H,13,14)
InChIKeyLTFJWNDEJIDLER-UHFFFAOYSA-N
MW293.73 g/mol
LogP1.43
Rot. Bonds6

About 4-chloro-3-(2-methoxyethylsulfonylamino)benzoic acid

4-chloro-3-(2-methoxyethylsulfonylamino)benzoic acid (PubChem CID 55010075) has the molecular formula C10H12ClNO5S and a molecular weight of 293.73 g/mol. Its IUPAC name is 4-chloro-3-(2-methoxyethylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name4-chloro-3-(2-methoxyethylsulfonylamino)benzoic acid
PubChem CID55010075
Molecular FormulaC10H12ClNO5S
Molecular Weight293.73 g/mol
Exact Mass293.01
IUPAC Name4-chloro-3-(2-methoxyethylsulfonylamino)benzoic acid
SMILESCOCCS(=O)(=O)Nc1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C10H12ClNO5S/c1-17-4-5-18(15,16)12-9-6-7(10(13)14)2-3-8(9)11/h2-3,6,12H,4-5H2,1H3,(H,13,14)
InChIKeyLTFJWNDEJIDLER-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-4-(2-methoxyethylsulfonylamino)benzoic acid
CID 55009840
4-chloro-3-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814349
4-fluoro-3-(3-methoxypropylsulfonylamino)benzoic acid
CID 63290128
5-chloro-2-methoxy-4-(3-methoxypropylsulfonylamino)benzoic acid
CID 63290355
4-chloro-3-[[2-(4-methoxybutylamino)acetyl]amino]benzoic acid
CID 103244317
4-chloro-3-(oxolan-2-ylmethylsulfonylamino)benzoic acid
CID 63246612
4-hydroxy-3-[(4-methoxy-4-oxobutyl)sulfonylamino]benzoic acid
CID 107264897
3-[(3-amino-3-oxopropyl)sulfonylamino]-4-methoxybenzoic acid
CID 89455462
4-chloro-3-(3-methoxypropylsulfamoyl)benzoic acid
CID 19096061
4-chloro-3-(pyrrolidin-1-ylsulfonylamino)benzoic acid
CID 29280963
3-chloro-N'-hydroxy-4-(3-methoxypropylsulfonylamino)benzenecarboximidamide
CID 107810010
4-fluoro-3-(3-methylbutylsulfonylamino)benzoic acid
CID 63820852

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-methoxyethylsulfonylamino)benzoic acid?
The IUPAC name of 4-chloro-3-(2-methoxyethylsulfonylamino)benzoic acid (CID 55010075) is 4-chloro-3-(2-methoxyethylsulfonylamino)benzoic acid.
What is the SMILES notation for 4-chloro-3-(2-methoxyethylsulfonylamino)benzoic acid?
The canonical SMILES for 4-chloro-3-(2-methoxyethylsulfonylamino)benzoic acid is COCCS(=O)(=O)Nc1cc(C(=O)O)ccc1Cl.
What is the InChIKey of 4-chloro-3-(2-methoxyethylsulfonylamino)benzoic acid?
The InChIKey is LTFJWNDEJIDLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO5S/c1-17-4-5-18(15,16)12-9-6-7(10(13)14)2-3-8(9)11/h2-3,6,12H,4-5H2,1H3,(H,13,14).
What are the key properties of 4-chloro-3-(2-methoxyethylsulfonylamino)benzoic acid?
4-chloro-3-(2-methoxyethylsulfonylamino)benzoic acid has a molecular weight of 293.73 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-methoxyethylsulfonylamino)benzoic acid is sourced from PubChem (CID 55010075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).