methyl 4-[(2-fluorophenyl)-propylsulfamoyl]-1H-pyrrole-2-carboxylate

C15H17FN2O4S — CID 20938589

IUPACmethyl 4-[(2-fluorophenyl)-propylsulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCCCN(c1ccccc1F)S(=O)(=O)c1c[nH]c(C(=O)OC)c1
InChIInChI=1S/C15H17FN2O4S/c1-3-8-18(14-7-5-4-6-12(14)16)23(20,21)11-9-13(17-10-11)15(19)22-2/h4-7,9-10,17H,3,8H2,1-2H3
InChIKeyBXRDGDBCZSYQRV-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.55
Rot. Bonds6

About methyl 4-[(2-fluorophenyl)-propylsulfamoyl]-1H-pyrrole-2-carboxylate

methyl 4-[(2-fluorophenyl)-propylsulfamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 20938589) has the molecular formula C15H17FN2O4S and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 4-[(2-fluorophenyl)-propylsulfamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-fluorophenyl)-propylsulfamoyl]-1H-pyrrole-2-carboxylate
PubChem CID20938589
Molecular FormulaC15H17FN2O4S
Molecular Weight340.38 g/mol
Exact Mass340.09
IUPAC Namemethyl 4-[(2-fluorophenyl)-propylsulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCCCN(c1ccccc1F)S(=O)(=O)c1c[nH]c(C(=O)OC)c1
InChIInChI=1S/C15H17FN2O4S/c1-3-8-18(14-7-5-4-6-12(14)16)23(20,21)11-9-13(17-10-11)15(19)22-2/h4-7,9-10,17H,3,8H2,1-2H3
InChIKeyBXRDGDBCZSYQRV-UHFFFAOYSA-N
XLogP2.55
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Pyrrole-2-carboxylic acid, 1-((2-amino-5-chlorophenyl)sulfonyl)-, ethyl ester
CID 464718
1H-Pyrrole-2-carboxylic acid, 1-((2-(acetylamino)-5-chlorophenyl)sulfonyl)-, ethyl ester
CID 464827
1H-Pyrrole-2-carboxylic acid, 1-((5-chloro-2-((1-oxopropyl)amino)phenyl)sulfonyl)-, ethyl ester
CID 393144
1H-Pyrrole-2-carboxylic acid, 1-((2-amino-5-chlorophenyl)sulfonyl)-, methyl ester
CID 464849
1H-Pyrrole-2-carboxylic acid, 1-((2-amino-5-chlorophenyl)sulfonyl)-, propyl
CID 464852
1H-Pyrrole-2-carboxylic acid, 1-((2-amino-5-chlorophenyl)sulfonyl)-, 1-methylethyl ester
CID 464854
1H-Pyrrole-2-carboxylic acid, 1-((2-amino-5-chlorophenyl)sulfonyl)-, 2-propenyl ester
CID 464856
1H-Pyrrole-2-carboxylic acid, 1-((5-chloro-2-(formylamino)phenyl)sulfonyl)-, ethyl ester
CID 464862
Ethyl 1-methyl-4-(1-pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxylate
CID 6623801
methyl 4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate
CID 6625945
Methyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 22515634
Ethyl 1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxylate
CID 22515810

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-fluorophenyl)-propylsulfamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[(2-fluorophenyl)-propylsulfamoyl]-1H-pyrrole-2-carboxylate (CID 20938589) is methyl 4-[(2-fluorophenyl)-propylsulfamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[(2-fluorophenyl)-propylsulfamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[(2-fluorophenyl)-propylsulfamoyl]-1H-pyrrole-2-carboxylate is CCCN(c1ccccc1F)S(=O)(=O)c1c[nH]c(C(=O)OC)c1.
What is the InChIKey of methyl 4-[(2-fluorophenyl)-propylsulfamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is BXRDGDBCZSYQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4S/c1-3-8-18(14-7-5-4-6-12(14)16)23(20,21)11-9-13(17-10-11)15(19)22-2/h4-7,9-10,17H,3,8H2,1-2H3.
What are the key properties of methyl 4-[(2-fluorophenyl)-propylsulfamoyl]-1H-pyrrole-2-carboxylate?
methyl 4-[(2-fluorophenyl)-propylsulfamoyl]-1H-pyrrole-2-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-fluorophenyl)-propylsulfamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 20938589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).