N-(2-imidazol-1-ylethyl)-N-methyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide

C18H24N4O3S — CID 74234202

IUPACN-(2-imidazol-1-ylethyl)-N-methyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCN1C(=O)c1cccc(S(=O)(=O)N(C)CCn2ccnc2)c1
InChIInChI=1S/C18H24N4O3S/c1-15-5-4-9-22(15)18(23)16-6-3-7-17(13-16)26(24,25)20(2)11-12-21-10-8-19-14-21/h3,6-8,10,13-15H,4-5,9,11-12H2,1-2H3
InChIKeyZKCDJFLJUNPKFB-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.83
Rot. Bonds6

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

N-(2-imidazol-1-ylethyl)-N-methyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 74234202) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-N-methyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-N-methyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID74234202
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-(2-imidazol-1-ylethyl)-N-methyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCN1C(=O)c1cccc(S(=O)(=O)N(C)CCn2ccnc2)c1
InChIInChI=1S/C18H24N4O3S/c1-15-5-4-9-22(15)18(23)16-6-3-7-17(13-16)26(24,25)20(2)11-12-21-10-8-19-14-21/h3,6-8,10,13-15H,4-5,9,11-12H2,1-2H3
InChIKeyZKCDJFLJUNPKFB-UHFFFAOYSA-N
XLogP1.83
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-imidazol-1-ylpropyl)-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 74246850
N-methyl-3-(2-methylpyrrolidine-1-carbonyl)-N-(pyrazin-2-ylmethyl)benzenesulfonamide
CID 74232256
N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 8502446
N-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 93232744
N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 154839161
[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502448
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119632815
N-butyl-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109063489
3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-N-methoxy-N-methylbenzenesulfonamide
CID 52517146
N-methyl-N-phenyl-3-[(2S)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
CID 34477512
N,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 110354676
3-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]benzonitrile
CID 56744202

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-N-methyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-N-methyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide (CID 74234202) is N-(2-imidazol-1-ylethyl)-N-methyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-N-methyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-N-methyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide is CC1CCCN1C(=O)c1cccc(S(=O)(=O)N(C)CCn2ccnc2)c1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-N-methyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is ZKCDJFLJUNPKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-15-5-4-9-22(15)18(23)16-6-3-7-17(13-16)26(24,25)20(2)11-12-21-10-8-19-14-21/h3,6-8,10,13-15H,4-5,9,11-12H2,1-2H3.
What are the key properties of N-(2-imidazol-1-ylethyl)-N-methyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide?
N-(2-imidazol-1-ylethyl)-N-methyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-N-methyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 74234202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).