2-(cyclopropylsulfonylamino)-4-methoxybenzoic acid

C11H13NO5S — CID 78920269

IUPAC2-(cyclopropylsulfonylamino)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NS(=O)(=O)C2CC2)c1
InChIInChI=1S/C11H13NO5S/c1-17-7-2-5-9(11(13)14)10(6-7)12-18(15,16)8-3-4-8/h2,5-6,8,12H,3-4H2,1H3,(H,13,14)
InChIKeyJBMZOKSXIHYQLV-UHFFFAOYSA-N
MW271.29 g/mol
LogP1.30
Rot. Bonds5

About 2-(cyclopropylsulfonylamino)-4-methoxybenzoic acid

2-(cyclopropylsulfonylamino)-4-methoxybenzoic acid (PubChem CID 78920269) has the molecular formula C11H13NO5S and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-(cyclopropylsulfonylamino)-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-(cyclopropylsulfonylamino)-4-methoxybenzoic acid
PubChem CID78920269
Molecular FormulaC11H13NO5S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC Name2-(cyclopropylsulfonylamino)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NS(=O)(=O)C2CC2)c1
InChIInChI=1S/C11H13NO5S/c1-17-7-2-5-9(11(13)14)10(6-7)12-18(15,16)8-3-4-8/h2,5-6,8,12H,3-4H2,1H3,(H,13,14)
InChIKeyJBMZOKSXIHYQLV-UHFFFAOYSA-N
XLogP1.30
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(tert-butylsulfonylamino)-4-methoxybenzoic acid
CID 113303117
4-methoxy-2-(methylamino)benzoic acid
CID 70479848
2-(cyanomethylsulfonylamino)-4-methoxybenzoic acid
CID 115411259
2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid
CID 113304992
2-hydrazinyl-4-methoxybenzoic acid;hydrochloride
CID 119031799
4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid
CID 103871126
2-(2,2-dimethylhydrazinyl)-4-methoxybenzoic acid
CID 83025083
4-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914466
2-(cyclopentylsulfonylamino)-4-nitrobenzoic acid
CID 105360812
2-[(5-fluoro-3-pyridinyl)sulfonylamino]-4-methoxybenzoic acid
CID 138041129
2-(azepane-2-carbonylamino)-4-methoxybenzoic acid
CID 115411626
2-[(3-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid
CID 115411606

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfonylamino)-4-methoxybenzoic acid?
The IUPAC name of 2-(cyclopropylsulfonylamino)-4-methoxybenzoic acid (CID 78920269) is 2-(cyclopropylsulfonylamino)-4-methoxybenzoic acid.
What is the SMILES notation for 2-(cyclopropylsulfonylamino)-4-methoxybenzoic acid?
The canonical SMILES for 2-(cyclopropylsulfonylamino)-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(NS(=O)(=O)C2CC2)c1.
What is the InChIKey of 2-(cyclopropylsulfonylamino)-4-methoxybenzoic acid?
The InChIKey is JBMZOKSXIHYQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5S/c1-17-7-2-5-9(11(13)14)10(6-7)12-18(15,16)8-3-4-8/h2,5-6,8,12H,3-4H2,1H3,(H,13,14).
What are the key properties of 2-(cyclopropylsulfonylamino)-4-methoxybenzoic acid?
2-(cyclopropylsulfonylamino)-4-methoxybenzoic acid has a molecular weight of 271.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfonylamino)-4-methoxybenzoic acid is sourced from PubChem (CID 78920269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).