5-chloro-4-(ethylsulfonylamino)-2-methoxybenzoic acid

C10H12ClNO5S — CID 43405044

IUPAC5-chloro-4-(ethylsulfonylamino)-2-methoxybenzoic acid
SMILESCCS(=O)(=O)Nc1cc(OC)c(C(=O)O)cc1Cl
InChIInChI=1S/C10H12ClNO5S/c1-3-18(15,16)12-8-5-9(17-2)6(10(13)14)4-7(8)11/h4-5,12H,3H2,1-2H3,(H,13,14)
InChIKeyQQQZJTHMPWAQMU-UHFFFAOYSA-N
MW293.73 g/mol
LogP1.81
Rot. Bonds5

About 5-chloro-4-(ethylsulfonylamino)-2-methoxybenzoic acid

5-chloro-4-(ethylsulfonylamino)-2-methoxybenzoic acid (PubChem CID 43405044) has the molecular formula C10H12ClNO5S and a molecular weight of 293.73 g/mol. Its IUPAC name is 5-chloro-4-(ethylsulfonylamino)-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-chloro-4-(ethylsulfonylamino)-2-methoxybenzoic acid
PubChem CID43405044
Molecular FormulaC10H12ClNO5S
Molecular Weight293.73 g/mol
Exact Mass293.01
IUPAC Name5-chloro-4-(ethylsulfonylamino)-2-methoxybenzoic acid
SMILESCCS(=O)(=O)Nc1cc(OC)c(C(=O)O)cc1Cl
InChIInChI=1S/C10H12ClNO5S/c1-3-18(15,16)12-8-5-9(17-2)6(10(13)14)4-7(8)11/h4-5,12H,3H2,1-2H3,(H,13,14)
InChIKeyQQQZJTHMPWAQMU-UHFFFAOYSA-N
XLogP1.81
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(chlorosulfonylamino)-2-methoxybenzoic acid
CID 84760610
5-chloro-2-methoxy-4-(3-methoxypropylsulfonylamino)benzoic acid
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5-chloro-2-methoxy-4-(propan-2-ylsulfonylamino)benzoic acid
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5-chloro-2-methoxy-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid
CID 61455915
5-chloro-2-methoxy-4-(1H-pyrrol-3-ylsulfonylamino)benzoic acid
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5-chloro-2-methoxy-4-(2-methylsulfonylpropanoylamino)benzoic acid
CID 104517466
4-[(2-amino-3-carboxypropanoyl)amino]-5-chloro-2-methoxybenzoic acid
CID 64896328
5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid
CID 103018243
5-chloro-2-methoxy-4-(pentylcarbamoylamino)benzoic acid
CID 61182726
5-chloro-4-[(2,4-diamino-4-oxobutanoyl)amino]-2-methoxybenzoic acid
CID 61162189
4-[(2-amino-3-methylpentanoyl)amino]-5-chloro-2-methoxybenzoic acid
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4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(ethylsulfonylamino)-2-methoxybenzoic acid?
The IUPAC name of 5-chloro-4-(ethylsulfonylamino)-2-methoxybenzoic acid (CID 43405044) is 5-chloro-4-(ethylsulfonylamino)-2-methoxybenzoic acid.
What is the SMILES notation for 5-chloro-4-(ethylsulfonylamino)-2-methoxybenzoic acid?
The canonical SMILES for 5-chloro-4-(ethylsulfonylamino)-2-methoxybenzoic acid is CCS(=O)(=O)Nc1cc(OC)c(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-4-(ethylsulfonylamino)-2-methoxybenzoic acid?
The InChIKey is QQQZJTHMPWAQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO5S/c1-3-18(15,16)12-8-5-9(17-2)6(10(13)14)4-7(8)11/h4-5,12H,3H2,1-2H3,(H,13,14).
What are the key properties of 5-chloro-4-(ethylsulfonylamino)-2-methoxybenzoic acid?
5-chloro-4-(ethylsulfonylamino)-2-methoxybenzoic acid has a molecular weight of 293.73 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(ethylsulfonylamino)-2-methoxybenzoic acid is sourced from PubChem (CID 43405044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).