N,N-dimethyl-4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)benzenesulfonamide

C17H20N4O4S — CID 90638303

IUPACN,N-dimethyl-4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(Oc3cccnn3)C2)cc1
InChIInChI=1S/C17H20N4O4S/c1-20(2)26(23,24)15-7-5-13(6-8-15)17(22)21-11-9-14(12-21)25-16-4-3-10-18-19-16/h3-8,10,14H,9,11-12H2,1-2H3
InChIKeyFXEOSQVTAZAYNC-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.02
Rot. Bonds5

About N,N-dimethyl-4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)benzenesulfonamide

N,N-dimethyl-4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 90638303) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID90638303
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC NameN,N-dimethyl-4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(Oc3cccnn3)C2)cc1
InChIInChI=1S/C17H20N4O4S/c1-20(2)26(23,24)15-7-5-13(6-8-15)17(22)21-11-9-14(12-21)25-16-4-3-10-18-19-16/h3-8,10,14H,9,11-12H2,1-2H3
InChIKeyFXEOSQVTAZAYNC-UHFFFAOYSA-N
XLogP1.02
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638273
(4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100638429
(4-butoxyphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638234
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 121197435
(6-ethoxy-3-pyridinyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638410
(4-pyridazin-3-yloxypiperidin-1-yl)-pyridin-4-ylmethanone
CID 90559340
N-[4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]acetamide
CID 71799336
(5-methylpyrazin-2-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100623677
(5-methylpyrazin-2-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 91627264
(3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 91627208
[3-(dimethylamino)phenyl]-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 90559348

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)benzenesulfonamide (CID 90638303) is N,N-dimethyl-4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(Oc3cccnn3)C2)cc1.
What is the InChIKey of N,N-dimethyl-4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is FXEOSQVTAZAYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-20(2)26(23,24)15-7-5-13(6-8-15)17(22)21-11-9-14(12-21)25-16-4-3-10-18-19-16/h3-8,10,14H,9,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)benzenesulfonamide?
N,N-dimethyl-4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 376.44 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 90638303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).