N-(3-imidazol-1-ylpropyl)-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide

C18H24N4O3S — CID 74246850

IUPACN-(3-imidazol-1-ylpropyl)-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCN1C(=O)c1cccc(S(=O)(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C18H24N4O3S/c1-15-5-3-11-22(15)18(23)16-6-2-7-17(13-16)26(24,25)20-8-4-10-21-12-9-19-14-21/h2,6-7,9,12-15,20H,3-5,8,10-11H2,1H3
InChIKeyMHVZVSSMWVBWSV-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.88
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide

N-(3-imidazol-1-ylpropyl)-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 74246850) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID74246850
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCN1C(=O)c1cccc(S(=O)(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C18H24N4O3S/c1-15-5-3-11-22(15)18(23)16-6-2-7-17(13-16)26(24,25)20-8-4-10-21-12-9-19-14-21/h2,6-7,9,12-15,20H,3-5,8,10-11H2,1H3
InChIKeyMHVZVSSMWVBWSV-UHFFFAOYSA-N
XLogP1.88
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-imidazol-1-ylethyl)-N-methyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 74234202
N-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 93232744
N-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide
CID 110446281
N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 154839161
N-(4-imidazol-1-ylbutyl)-3,4-dimethylbenzenesulfonamide
CID 110446607
N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide
CID 110446613
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-imidazol-1-ylethylsulfamoyl)benzamide
CID 77088639
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 24537601
[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502448
3-(piperidine-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 72877749
1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 53278342
4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 97150016

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide (CID 74246850) is N-(3-imidazol-1-ylpropyl)-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide is CC1CCCN1C(=O)c1cccc(S(=O)(=O)NCCCn2ccnc2)c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is MHVZVSSMWVBWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-15-5-3-11-22(15)18(23)16-6-2-7-17(13-16)26(24,25)20-8-4-10-21-12-9-19-14-21/h2,6-7,9,12-15,20H,3-5,8,10-11H2,1H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide?
N-(3-imidazol-1-ylpropyl)-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 74246850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).