N-(3-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

C18H23N3O3S — CID 35295357

IUPACN-(3-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESO=C(c1cc(S(=O)(=O)NCCCc2ccccc2)c[nH]1)N1CCCC1
InChIInChI=1S/C18H23N3O3S/c22-18(21-11-4-5-12-21)17-13-16(14-19-17)25(23,24)20-10-6-9-15-7-2-1-3-8-15/h1-3,7-8,13-14,19-20H,4-6,9-12H2
InChIKeyFKRUXZVGZVQMPA-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.16
Rot. Bonds7

About N-(3-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

N-(3-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 35295357) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(3-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID35295357
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-(3-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESO=C(c1cc(S(=O)(=O)NCCCc2ccccc2)c[nH]1)N1CCCC1
InChIInChI=1S/C18H23N3O3S/c22-18(21-11-4-5-12-21)17-13-16(14-19-17)25(23,24)20-10-6-9-15-7-2-1-3-8-15/h1-3,7-8,13-14,19-20H,4-6,9-12H2
InChIKeyFKRUXZVGZVQMPA-UHFFFAOYSA-N
XLogP2.16
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-phenylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 60913798
N-pentyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35288257
N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063301
4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780760
N-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35300489
N-(2-phenylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 36621565
4-(3-pyrrolidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 43362200
N-(2-aminoethyl)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 120895508
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 55598880
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 55988627
N-(2-amino-2-ethylbutyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 119990127
N-[2-(methylamino)propyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 120825513

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(3-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 35295357) is N-(3-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(3-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(3-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is O=C(c1cc(S(=O)(=O)NCCCc2ccccc2)c[nH]1)N1CCCC1.
What is the InChIKey of N-(3-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is FKRUXZVGZVQMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c22-18(21-11-4-5-12-21)17-13-16(14-19-17)25(23,24)20-10-6-9-15-7-2-1-3-8-15/h1-3,7-8,13-14,19-20H,4-6,9-12H2.
What are the key properties of N-(3-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
N-(3-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 361.47 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 35295357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).