4-phenyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide

C26H25N5O2S — CID 122354613

IUPAC4-phenyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2cc(N3CCCC3)cnn2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H25N5O2S/c32-34(33,25-14-8-21(9-15-25)20-6-2-1-3-7-20)30-23-12-10-22(11-13-23)28-26-18-24(19-27-29-26)31-16-4-5-17-31/h1-3,6-15,18-19,30H,4-5,16-17H2,(H,28,29)
InChIKeyMROBCOQPYAVIOP-UHFFFAOYSA-N
MW471.59 g/mol
LogP5.29
Rot. Bonds7

About 4-phenyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide

4-phenyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide (PubChem CID 122354613) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is 4-phenyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-phenyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
PubChem CID122354613
Molecular FormulaC26H25N5O2S
Molecular Weight471.59 g/mol
Exact Mass471.17
IUPAC Name4-phenyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2cc(N3CCCC3)cnn2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H25N5O2S/c32-34(33,25-14-8-21(9-15-25)20-6-2-1-3-7-20)30-23-12-10-22(11-13-23)28-26-18-24(19-27-29-26)31-16-4-5-17-31/h1-3,6-15,18-19,30H,4-5,16-17H2,(H,28,29)
InChIKeyMROBCOQPYAVIOP-UHFFFAOYSA-N
XLogP5.29
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.59
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-4-phenylbenzenesulfonamide
CID 122355000
4-cyano-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 122354871
N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122354823
N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 122354626
4-methoxy-2,5-dimethyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 122354618
4-methoxy-3-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 122355002
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbenzenesulfonamide
CID 122321493
2-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354511
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-phenoxybenzenesulfonamide
CID 122321888
1-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-thiophen-2-ylurea
CID 122354873
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide
CID 29043555
5-chloro-2-methoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 122355237

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 4-phenyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide (CID 122354613) is 4-phenyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-phenyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 4-phenyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Nc2cc(N3CCCC3)cnn2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is MROBCOQPYAVIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S/c32-34(33,25-14-8-21(9-15-25)20-6-2-1-3-7-20)30-23-12-10-22(11-13-23)28-26-18-24(19-27-29-26)31-16-4-5-17-31/h1-3,6-15,18-19,30H,4-5,16-17H2,(H,28,29).
What are the key properties of 4-phenyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide?
4-phenyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 471.59 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 122354613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).