N-(2,3-dihydro-1-benzofuran-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

C17H19N3O4S — CID 119032421

IUPACN-(2,3-dihydro-1-benzofuran-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESO=C(c1cc(S(=O)(=O)NC2COc3ccccc32)c[nH]1)N1CCCC1
InChIInChI=1S/C17H19N3O4S/c21-17(20-7-3-4-8-20)14-9-12(10-18-14)25(22,23)19-15-11-24-16-6-2-1-5-13(15)16/h1-2,5-6,9-10,15,18-19H,3-4,7-8,11H2
InChIKeyTZYZURWZLJOVSJ-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.66
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

N-(2,3-dihydro-1-benzofuran-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 119032421) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID119032421
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESO=C(c1cc(S(=O)(=O)NC2COc3ccccc32)c[nH]1)N1CCCC1
InChIInChI=1S/C17H19N3O4S/c21-17(20-7-3-4-8-20)14-9-12(10-18-14)25(22,23)19-15-11-24-16-6-2-1-5-13(15)16/h1-2,5-6,9-10,15,18-19H,3-4,7-8,11H2
InChIKeyTZYZURWZLJOVSJ-UHFFFAOYSA-N
XLogP1.66
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 36621565
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 55598880
N-(3-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35295357
N-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35300489
[4-(4-phenylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 134006754
N-[1-(2-chlorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 134018887
N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 36620781
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone
CID 18108104
N-(4-chloro-2-fluorophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 36621427
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 55988627
N-(furan-2-ylmethyl)-N-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 47062923
N-(1-amino-2-methylpropan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 119975801

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 119032421) is N-(2,3-dihydro-1-benzofuran-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is O=C(c1cc(S(=O)(=O)NC2COc3ccccc32)c[nH]1)N1CCCC1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is TZYZURWZLJOVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c21-17(20-7-3-4-8-20)14-9-12(10-18-14)25(22,23)19-15-11-24-16-6-2-1-5-13(15)16/h1-2,5-6,9-10,15,18-19H,3-4,7-8,11H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
N-(2,3-dihydro-1-benzofuran-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 361.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 119032421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).