4-methoxy-2,5-dimethyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide

C23H27N5O3S — CID 122354618

IUPAC4-methoxy-2,5-dimethyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCC4)cnn3)cc2)cc1C
InChIInChI=1S/C23H27N5O3S/c1-16-13-22(17(2)12-21(16)31-3)32(29,30)27-19-8-6-18(7-9-19)25-23-14-20(15-24-26-23)28-10-4-5-11-28/h6-9,12-15,27H,4-5,10-11H2,1-3H3,(H,25,26)
InChIKeyKMPBTXSHOXLDCP-UHFFFAOYSA-N
MW453.57 g/mol
LogP4.25
Rot. Bonds7

About 4-methoxy-2,5-dimethyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide

4-methoxy-2,5-dimethyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide (PubChem CID 122354618) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
PubChem CID122354618
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC Name4-methoxy-2,5-dimethyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCC4)cnn3)cc2)cc1C
InChIInChI=1S/C23H27N5O3S/c1-16-13-22(17(2)12-21(16)31-3)32(29,30)27-19-8-6-18(7-9-19)25-23-14-20(15-24-26-23)28-10-4-5-11-28/h6-9,12-15,27H,4-5,10-11H2,1-3H3,(H,25,26)
InChIKeyKMPBTXSHOXLDCP-UHFFFAOYSA-N
XLogP4.25
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-2,5-dimethyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-3-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 122355002
4-methoxy-2,5-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024403
5-chloro-2-methoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 122355237
5-methoxy-2,4-dimethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 53048209
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113015961
4-phenyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 122354613
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
2,4,5-trimethyl-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
CID 122321099
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 46268083
N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 122354626
N-[5-(azepan-1-yl)-2-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113031119

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,5-dimethyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide (CID 122354618) is 4-methoxy-2,5-dimethyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,5-dimethyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCC4)cnn3)cc2)cc1C.
What is the InChIKey of 4-methoxy-2,5-dimethyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is KMPBTXSHOXLDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-16-13-22(17(2)12-21(16)31-3)32(29,30)27-19-8-6-18(7-9-19)25-23-14-20(15-24-26-23)28-10-4-5-11-28/h6-9,12-15,27H,4-5,10-11H2,1-3H3,(H,25,26).
What are the key properties of 4-methoxy-2,5-dimethyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide?
4-methoxy-2,5-dimethyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 453.57 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 122354618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).