propyl 4-(cyclopropylsulfamoylamino)benzoate

C13H18N2O4S — CID 104516933

IUPACpropyl 4-(cyclopropylsulfamoylamino)benzoate
SMILESCCCOC(=O)c1ccc(NS(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-2-9-19-13(16)10-3-5-11(6-4-10)14-20(17,18)15-12-7-8-12/h3-6,12,14-15H,2,7-9H2,1H3
InChIKeyVNHDZYMWDPJESG-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.66
Rot. Bonds7

About propyl 4-(cyclopropylsulfamoylamino)benzoate

propyl 4-(cyclopropylsulfamoylamino)benzoate (PubChem CID 104516933) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is propyl 4-(cyclopropylsulfamoylamino)benzoate.

Molecular Properties

Compound Namepropyl 4-(cyclopropylsulfamoylamino)benzoate
PubChem CID104516933
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Namepropyl 4-(cyclopropylsulfamoylamino)benzoate
SMILESCCCOC(=O)c1ccc(NS(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-2-9-19-13(16)10-3-5-11(6-4-10)14-20(17,18)15-12-7-8-12/h3-6,12,14-15H,2,7-9H2,1H3
InChIKeyVNHDZYMWDPJESG-UHFFFAOYSA-N
XLogP1.66
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 4-(2-methylpropylsulfonylamino)benzoate
CID 62999829
2-[(4-propoxycarbonylphenyl)sulfamoyl]propanoic acid
CID 61454647
propyl 4-(piperidin-4-ylamino)benzoate
CID 54902867
propyl 4-(dicyclopropylmethylamino)benzoate
CID 43362907
N-(cyclopropylsulfamoyl)-4-(ethylaminomethyl)aniline
CID 106911273
propyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 2227574
propyl 4-(1H-pyrrol-3-ylsulfonylamino)benzoate
CID 43624126
propyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 22774734
butyl 4-(chloromethylsulfonylamino)benzoate
CID 55245248
propyl 4-ethylsulfonylbenzoate
CID 142374823
propyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 2842703
propyl 4-[(2,4-dimethylcyclohexyl)amino]benzoate
CID 64761592

Frequently Asked Questions

What is the IUPAC name of propyl 4-(cyclopropylsulfamoylamino)benzoate?
The IUPAC name of propyl 4-(cyclopropylsulfamoylamino)benzoate (CID 104516933) is propyl 4-(cyclopropylsulfamoylamino)benzoate.
What is the SMILES notation for propyl 4-(cyclopropylsulfamoylamino)benzoate?
The canonical SMILES for propyl 4-(cyclopropylsulfamoylamino)benzoate is CCCOC(=O)c1ccc(NS(=O)(=O)NC2CC2)cc1.
What is the InChIKey of propyl 4-(cyclopropylsulfamoylamino)benzoate?
The InChIKey is VNHDZYMWDPJESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-2-9-19-13(16)10-3-5-11(6-4-10)14-20(17,18)15-12-7-8-12/h3-6,12,14-15H,2,7-9H2,1H3.
What are the key properties of propyl 4-(cyclopropylsulfamoylamino)benzoate?
propyl 4-(cyclopropylsulfamoylamino)benzoate has a molecular weight of 298.36 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(cyclopropylsulfamoylamino)benzoate is sourced from PubChem (CID 104516933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).