3-(2-chloro-4-sulfamoylphenoxy)-N-cyclopropylpropanamide

C12H15ClN2O4S — CID 82921576

IUPAC3-(2-chloro-4-sulfamoylphenoxy)-N-cyclopropylpropanamide
SMILESNS(=O)(=O)c1ccc(OCCC(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O4S/c13-10-7-9(20(14,17)18)3-4-11(10)19-6-5-12(16)15-8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,15,16)(H2,14,17,18)
InChIKeyQMJTYPLHEXAPFT-UHFFFAOYSA-N
MW318.78 g/mol
LogP1.03
Rot. Bonds6

About 3-(2-chloro-4-sulfamoylphenoxy)-N-cyclopropylpropanamide

3-(2-chloro-4-sulfamoylphenoxy)-N-cyclopropylpropanamide (PubChem CID 82921576) has the molecular formula C12H15ClN2O4S and a molecular weight of 318.78 g/mol. Its IUPAC name is 3-(2-chloro-4-sulfamoylphenoxy)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(2-chloro-4-sulfamoylphenoxy)-N-cyclopropylpropanamide
PubChem CID82921576
Molecular FormulaC12H15ClN2O4S
Molecular Weight318.78 g/mol
Exact Mass318.04
IUPAC Name3-(2-chloro-4-sulfamoylphenoxy)-N-cyclopropylpropanamide
SMILESNS(=O)(=O)c1ccc(OCCC(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O4S/c13-10-7-9(20(14,17)18)3-4-11(10)19-6-5-12(16)15-8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,15,16)(H2,14,17,18)
InChIKeyQMJTYPLHEXAPFT-UHFFFAOYSA-N
XLogP1.03
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(3-methylbut-3-enoxy)benzenesulfonamide
CID 114473013
N-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide
CID 82916178
N-cyclopropyl-2-(2,6-dichloro-4-sulfamoylphenoxy)acetamide
CID 82914772
3-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylpropanamide
CID 62626638
3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenesulfonamide
CID 103410565
3-(2-acetyl-4-chlorophenoxy)-N-cyclopropylpropanamide
CID 62628472
3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide
CID 62626106
2-(2-chloro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82921286
3-(2-amino-4-cyanophenoxy)-N-cyclopropylpropanamide
CID 55098582
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide
CID 110407206
4-chloro-2-[3-(cyclopropylamino)-3-oxopropoxy]benzoic acid
CID 55098633
3-chloro-4-(3,3-dimethylbutoxy)benzenesulfonamide
CID 61481232

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-sulfamoylphenoxy)-N-cyclopropylpropanamide?
The IUPAC name of 3-(2-chloro-4-sulfamoylphenoxy)-N-cyclopropylpropanamide (CID 82921576) is 3-(2-chloro-4-sulfamoylphenoxy)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(2-chloro-4-sulfamoylphenoxy)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(2-chloro-4-sulfamoylphenoxy)-N-cyclopropylpropanamide is NS(=O)(=O)c1ccc(OCCC(=O)NC2CC2)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-sulfamoylphenoxy)-N-cyclopropylpropanamide?
The InChIKey is QMJTYPLHEXAPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4S/c13-10-7-9(20(14,17)18)3-4-11(10)19-6-5-12(16)15-8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,15,16)(H2,14,17,18).
What are the key properties of 3-(2-chloro-4-sulfamoylphenoxy)-N-cyclopropylpropanamide?
3-(2-chloro-4-sulfamoylphenoxy)-N-cyclopropylpropanamide has a molecular weight of 318.78 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-sulfamoylphenoxy)-N-cyclopropylpropanamide is sourced from PubChem (CID 82921576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).