N-(furan-2-ylmethyl)-N-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

C20H21N3O4S — CID 47062923

IUPACN-(furan-2-ylmethyl)-N-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESO=C(c1cc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)c[nH]1)N1CCCC1
InChIInChI=1S/C20H21N3O4S/c24-20(22-10-4-5-11-22)19-13-18(14-21-19)28(25,26)23(15-17-9-6-12-27-17)16-7-2-1-3-8-16/h1-3,6-9,12-14,21H,4-5,10-11,15H2
InChIKeyWDWIOTYCTBPPQH-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.24
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

N-(furan-2-ylmethyl)-N-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 47062923) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID47062923
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-(furan-2-ylmethyl)-N-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESO=C(c1cc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)c[nH]1)N1CCCC1
InChIInChI=1S/C20H21N3O4S/c24-20(22-10-4-5-11-22)19-13-18(14-21-19)28(25,26)23(15-17-9-6-12-27-17)16-7-2-1-3-8-16/h1-3,6-9,12-14,21H,4-5,10-11,15H2
InChIKeyWDWIOTYCTBPPQH-UHFFFAOYSA-N
XLogP3.24
TPSA86.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 60540058
N-(3-aminopropyl)-N-benzyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 120664151
4-acetyl-N-(furan-2-ylmethyl)-N-phenylbenzenesulfonamide
CID 51307345
N-(2-aminoethyl)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 120895508
N-(furan-2-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
CID 17458263
N-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 1100955
N-(2,3-dihydro-1-benzofuran-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 119032421
N-(2-phenylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 36621565
N-(3-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35295357
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone
CID 18108104
[4-(4-phenylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 134006754
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 55598880

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 47062923) is N-(furan-2-ylmethyl)-N-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is O=C(c1cc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)c[nH]1)N1CCCC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is WDWIOTYCTBPPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c24-20(22-10-4-5-11-22)19-13-18(14-21-19)28(25,26)23(15-17-9-6-12-27-17)16-7-2-1-3-8-16/h1-3,6-9,12-14,21H,4-5,10-11,15H2.
What are the key properties of N-(furan-2-ylmethyl)-N-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
N-(furan-2-ylmethyl)-N-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 399.47 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 47062923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).