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

C11H14ClNO5S — CID 113437739

IUPAC2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid
SMILESCOCCCNS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C11H14ClNO5S/c1-18-6-2-5-13-19(16,17)8-3-4-9(11(14)15)10(12)7-8/h3-4,7,13H,2,5-6H2,1H3,(H,14,15)
InChIKeySZXQFEVQMGIIQI-UHFFFAOYSA-N
MW307.76 g/mol
LogP1.35
Rot. Bonds7

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

2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid (PubChem CID 113437739) has the molecular formula C11H14ClNO5S and a molecular weight of 307.76 g/mol. Its IUPAC name is 2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid
PubChem CID113437739
Molecular FormulaC11H14ClNO5S
Molecular Weight307.76 g/mol
Exact Mass307.03
IUPAC Name2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid
SMILESCOCCCNS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C11H14ClNO5S/c1-18-6-2-5-13-19(16,17)8-3-4-9(11(14)15)10(12)7-8/h3-4,7,13H,2,5-6H2,1H3,(H,14,15)
InChIKeySZXQFEVQMGIIQI-UHFFFAOYSA-N
XLogP1.35
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[2-(2-methoxyethoxy)ethylsulfamoyl]benzoic acid
CID 104654540
methyl 2-chloro-5-(3-methoxypropylsulfamoyl)benzoate
CID 100769716
2-chloro-4-(3-methylsulfanylpropylsulfamoyl)benzoic acid
CID 107090098
2-(3-methoxypropylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid
CID 99984062
2,4-dichloro-5-(3-methoxypropylsulfamoyl)benzoic acid
CID 43235233
2-chloro-4-(2-methylsulfonylethylsulfamoyl)benzoic acid
CID 107089953
2-(2-methoxyethylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid
CID 99984056
4-[2-(carbamoylamino)ethylsulfamoyl]-2-chlorobenzoic acid
CID 107090234
2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid
CID 113437740
3-chloro-4-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 110758135
2-chloro-4-(2-ethylsulfinylethylsulfamoyl)benzoic acid
CID 107090287
methyl 2-chloro-4-[3-(methylamino)propylsulfamoyl]benzoate;hydrochloride
CID 119043378

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid?
The IUPAC name of 2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid (CID 113437739) is 2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid?
The canonical SMILES for 2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid is COCCCNS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid?
The InChIKey is SZXQFEVQMGIIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO5S/c1-18-6-2-5-13-19(16,17)8-3-4-9(11(14)15)10(12)7-8/h3-4,7,13H,2,5-6H2,1H3,(H,14,15).
What are the key properties of 2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid?
2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid has a molecular weight of 307.76 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid is sourced from PubChem (CID 113437739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).