propyl 4-(1H-pyrrol-3-ylsulfonylamino)benzoate

C14H16N2O4S — CID 43624126

IUPACpropyl 4-(1H-pyrrol-3-ylsulfonylamino)benzoate
SMILESCCCOC(=O)c1ccc(NS(=O)(=O)c2cc[nH]c2)cc1
InChIInChI=1S/C14H16N2O4S/c1-2-9-20-14(17)11-3-5-12(6-4-11)16-21(18,19)13-7-8-15-10-13/h3-8,10,15-16H,2,9H2,1H3
InChIKeyFLEBHPQZCWCQGV-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.38
Rot. Bonds6

About propyl 4-(1H-pyrrol-3-ylsulfonylamino)benzoate

propyl 4-(1H-pyrrol-3-ylsulfonylamino)benzoate (PubChem CID 43624126) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is propyl 4-(1H-pyrrol-3-ylsulfonylamino)benzoate.

Molecular Properties

Compound Namepropyl 4-(1H-pyrrol-3-ylsulfonylamino)benzoate
PubChem CID43624126
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Namepropyl 4-(1H-pyrrol-3-ylsulfonylamino)benzoate
SMILESCCCOC(=O)c1ccc(NS(=O)(=O)c2cc[nH]c2)cc1
InChIInChI=1S/C14H16N2O4S/c1-2-9-20-14(17)11-3-5-12(6-4-11)16-21(18,19)13-7-8-15-10-13/h3-8,10,15-16H,2,9H2,1H3
InChIKeyFLEBHPQZCWCQGV-UHFFFAOYSA-N
XLogP2.38
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 22774734
propyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 2227574
propyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 2842703
2-[(4-propoxycarbonylphenyl)sulfamoyl]propanoic acid
CID 61454647
propyl 4-(2-methylpropylsulfonylamino)benzoate
CID 62999829
butyl 4-[(4-tert-butylphenyl)sulfonylamino]benzoate
CID 22774750
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321
propyl 4-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzoate
CID 7999726
propyl 4-(cyclopropylsulfamoylamino)benzoate
CID 104516933
butyl 4-[(4-nitrophenyl)sulfonylamino]benzoate
CID 3688898
ethyl 4-[(4-iodophenyl)sulfamoyl]benzoate
CID 26967680
propyl 4-ethylsulfonylbenzoate
CID 142374823

Frequently Asked Questions

What is the IUPAC name of propyl 4-(1H-pyrrol-3-ylsulfonylamino)benzoate?
The IUPAC name of propyl 4-(1H-pyrrol-3-ylsulfonylamino)benzoate (CID 43624126) is propyl 4-(1H-pyrrol-3-ylsulfonylamino)benzoate.
What is the SMILES notation for propyl 4-(1H-pyrrol-3-ylsulfonylamino)benzoate?
The canonical SMILES for propyl 4-(1H-pyrrol-3-ylsulfonylamino)benzoate is CCCOC(=O)c1ccc(NS(=O)(=O)c2cc[nH]c2)cc1.
What is the InChIKey of propyl 4-(1H-pyrrol-3-ylsulfonylamino)benzoate?
The InChIKey is FLEBHPQZCWCQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-2-9-20-14(17)11-3-5-12(6-4-11)16-21(18,19)13-7-8-15-10-13/h3-8,10,15-16H,2,9H2,1H3.
What are the key properties of propyl 4-(1H-pyrrol-3-ylsulfonylamino)benzoate?
propyl 4-(1H-pyrrol-3-ylsulfonylamino)benzoate has a molecular weight of 308.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(1H-pyrrol-3-ylsulfonylamino)benzoate is sourced from PubChem (CID 43624126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).