2-chloro-5-(2-methoxypropylsulfonylamino)benzoic acid

C11H14ClNO5S — CID 136537758

IUPAC2-chloro-5-(2-methoxypropylsulfonylamino)benzoic acid
SMILESCOC(C)CS(=O)(=O)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C11H14ClNO5S/c1-7(18-2)6-19(16,17)13-8-3-4-10(12)9(5-8)11(14)15/h3-5,7,13H,6H2,1-2H3,(H,14,15)
InChIKeyMRGPIJSUBYXVIT-UHFFFAOYSA-N
MW307.76 g/mol
LogP1.81
Rot. Bonds6

About 2-chloro-5-(2-methoxypropylsulfonylamino)benzoic acid

2-chloro-5-(2-methoxypropylsulfonylamino)benzoic acid (PubChem CID 136537758) has the molecular formula C11H14ClNO5S and a molecular weight of 307.76 g/mol. Its IUPAC name is 2-chloro-5-(2-methoxypropylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(2-methoxypropylsulfonylamino)benzoic acid
PubChem CID136537758
Molecular FormulaC11H14ClNO5S
Molecular Weight307.76 g/mol
Exact Mass307.03
IUPAC Name2-chloro-5-(2-methoxypropylsulfonylamino)benzoic acid
SMILESCOC(C)CS(=O)(=O)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C11H14ClNO5S/c1-7(18-2)6-19(16,17)13-8-3-4-10(12)9(5-8)11(14)15/h3-5,7,13H,6H2,1-2H3,(H,14,15)
InChIKeyMRGPIJSUBYXVIT-UHFFFAOYSA-N
XLogP1.81
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(2S)-2-methoxypropyl]sulfonylamino]phenyl]-2-methylpropanamide
CID 124875226
2-chloro-5-(prop-2-enylsulfonylamino)benzoic acid
CID 79673875
2-chloro-5-(sulfoamino)benzoic acid
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2-chloro-5-(2-methoxypropanoylamino)benzoic acid
CID 112685827
2-chloro-5-[(3-methoxy-2-methylpropyl)amino]benzoic acid
CID 116501087
2-chloro-5-(cyclopropylsulfonylamino)benzoic acid
CID 62998220
4-[(2-methoxy-3-methylbutyl)sulfonylamino]benzoic acid
CID 136549173
2-chloro-5-(2-thiophen-2-ylethylsulfonylamino)benzoic acid
CID 166221992
2-chloro-5-(2-hydroxypropanoylamino)benzoic acid
CID 83768315
2-chloro-5-(2-chloropropanoylamino)benzoic acid
CID 43701854
2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 61359529
2-chloro-5-(2-naphthalen-1-ylprop-2-enylsulfonylamino)benzoic acid
CID 174452526

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-methoxypropylsulfonylamino)benzoic acid?
The IUPAC name of 2-chloro-5-(2-methoxypropylsulfonylamino)benzoic acid (CID 136537758) is 2-chloro-5-(2-methoxypropylsulfonylamino)benzoic acid.
What is the SMILES notation for 2-chloro-5-(2-methoxypropylsulfonylamino)benzoic acid?
The canonical SMILES for 2-chloro-5-(2-methoxypropylsulfonylamino)benzoic acid is COC(C)CS(=O)(=O)Nc1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-(2-methoxypropylsulfonylamino)benzoic acid?
The InChIKey is MRGPIJSUBYXVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO5S/c1-7(18-2)6-19(16,17)13-8-3-4-10(12)9(5-8)11(14)15/h3-5,7,13H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-chloro-5-(2-methoxypropylsulfonylamino)benzoic acid?
2-chloro-5-(2-methoxypropylsulfonylamino)benzoic acid has a molecular weight of 307.76 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-methoxypropylsulfonylamino)benzoic acid is sourced from PubChem (CID 136537758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).