N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]benzenesulfonamide

C18H23N5O3S — CID 164641092

IUPACN-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCN(c2cc(N3CCOCC3)cnn2)C1)c1ccccc1
InChIInChI=1S/C18H23N5O3S/c24-27(25,17-4-2-1-3-5-17)21-15-6-7-23(14-15)18-12-16(13-19-20-18)22-8-10-26-11-9-22/h1-5,12-13,15,21H,6-11,14H2/t15-/m0/s1
InChIKeyHNZFMAQGEJWSPI-HNNXBMFYSA-N
MW389.48 g/mol
LogP0.87
Rot. Bonds5

About N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]benzenesulfonamide

N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]benzenesulfonamide (PubChem CID 164641092) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]benzenesulfonamide
PubChem CID164641092
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC NameN-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCN(c2cc(N3CCOCC3)cnn2)C1)c1ccccc1
InChIInChI=1S/C18H23N5O3S/c24-27(25,17-4-2-1-3-5-17)21-15-6-7-23(14-15)18-12-16(13-19-20-18)22-8-10-26-11-9-22/h1-5,12-13,15,21H,6-11,14H2/t15-/m0/s1
InChIKeyHNZFMAQGEJWSPI-HNNXBMFYSA-N
XLogP0.87
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]benzenesulfonamide (CID 164641092) is N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]benzenesulfonamide is O=S(=O)(N[C@H]1CCN(c2cc(N3CCOCC3)cnn2)C1)c1ccccc1.
What is the InChIKey of N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is HNZFMAQGEJWSPI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c24-27(25,17-4-2-1-3-5-17)21-15-6-7-23(14-15)18-12-16(13-19-20-18)22-8-10-26-11-9-22/h1-5,12-13,15,21H,6-11,14H2/t15-/m0/s1.
What are the key properties of N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]benzenesulfonamide?
N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 389.48 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 164641092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).