N-(4-fluorophenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide

C16H17FN2O4S — CID 2810594

IUPACN-(4-fluorophenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide
SMILESCc1oc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O4S/c1-11-14(16(20)18-13-6-4-12(17)5-7-13)10-15(23-11)24(21,22)19-8-2-3-9-19/h4-7,10H,2-3,8-9H2,1H3,(H,18,20)
InChIKeyKPDLVRPBKWMNKH-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.76
Rot. Bonds4

About N-(4-fluorophenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide

N-(4-fluorophenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide (PubChem CID 2810594) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide
PubChem CID2810594
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC NameN-(4-fluorophenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide
SMILESCc1oc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O4S/c1-11-14(16(20)18-13-6-4-12(17)5-7-13)10-15(23-11)24(21,22)19-8-2-3-9-19/h4-7,10H,2-3,8-9H2,1H3,(H,18,20)
InChIKeyKPDLVRPBKWMNKH-UHFFFAOYSA-N
XLogP2.76
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide (CID 2810594) is N-(4-fluorophenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide is Cc1oc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide?
The InChIKey is KPDLVRPBKWMNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-11-14(16(20)18-13-6-4-12(17)5-7-13)10-15(23-11)24(21,22)19-8-2-3-9-19/h4-7,10H,2-3,8-9H2,1H3,(H,18,20).
What are the key properties of N-(4-fluorophenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide?
N-(4-fluorophenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide is sourced from PubChem (CID 2810594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).