N-(3-imidazol-1-ylpropyl)-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide

C17H22N4O3S — CID 162645592

IUPACN-(3-imidazol-1-ylpropyl)-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCN1CC(c2ccc(S(=O)(=O)NCCCn3ccnc3)cc2)CC1=O
InChIInChI=1S/C17H22N4O3S/c1-20-12-15(11-17(20)22)14-3-5-16(6-4-14)25(23,24)19-7-2-9-21-10-8-18-13-21/h3-6,8,10,13,15,19H,2,7,9,11-12H2,1H3
InChIKeyJVDGABGQNSYOAE-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.20
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide

N-(3-imidazol-1-ylpropyl)-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 162645592) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID162645592
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCN1CC(c2ccc(S(=O)(=O)NCCCn3ccnc3)cc2)CC1=O
InChIInChI=1S/C17H22N4O3S/c1-20-12-15(11-17(20)22)14-3-5-16(6-4-14)25(23,24)19-7-2-9-21-10-8-18-13-21/h3-6,8,10,13,15,19H,2,7,9,11-12H2,1H3
InChIKeyJVDGABGQNSYOAE-UHFFFAOYSA-N
XLogP1.20
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.20
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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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide (CID 162645592) is N-(3-imidazol-1-ylpropyl)-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide is CN1CC(c2ccc(S(=O)(=O)NCCCn3ccnc3)cc2)CC1=O.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is JVDGABGQNSYOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-20-12-15(11-17(20)22)14-3-5-16(6-4-14)25(23,24)19-7-2-9-21-10-8-18-13-21/h3-6,8,10,13,15,19H,2,7,9,11-12H2,1H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
N-(3-imidazol-1-ylpropyl)-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 362.46 g/mol, XLogP of 1.20, 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)-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 162645592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).