4-methoxy-2-methyl-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide

C22H26N4O3S — CID 72718495

IUPAC4-methoxy-2-methyl-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)c(C)c1
InChIInChI=1S/C22H26N4O3S/c1-16-15-18(29-2)7-8-21(16)30(27,28)24-13-14-26-20-6-4-3-5-19(20)22(25-26)17-9-11-23-12-10-17/h7-12,15,24H,3-6,13-14H2,1-2H3
InChIKeyGNMRPHAWLCWIQO-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.12
Rot. Bonds7

About 4-methoxy-2-methyl-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide

4-methoxy-2-methyl-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 72718495) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
PubChem CID72718495
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name4-methoxy-2-methyl-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)c(C)c1
InChIInChI=1S/C22H26N4O3S/c1-16-15-18(29-2)7-8-21(16)30(27,28)24-13-14-26-20-6-4-3-5-19(20)22(25-26)17-9-11-23-12-10-17/h7-12,15,24H,3-6,13-14H2,1-2H3
InChIKeyGNMRPHAWLCWIQO-UHFFFAOYSA-N
XLogP3.12
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-2-methyl-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]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

Substituted phenylsulfonyltryptamine, 11i
CID 23655464
1-(4-Methoxy-benzenesulfonyl)-3-piperidin-3-yl-1H-indole
CID 9969402
1-(4-Methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10069527
5-Methoxy-1-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10094169
N-[(2S)-1-[[1-(4-methoxyphenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 16666470
1-(4-Methoxy-benzenesulfonyl)-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 44389091
(4aS)-1-(4-fluorophenyl)-6-(4-methoxyphenyl)sulfonyl-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 44454906
1-(1-((4-Methoxyphenyl)sulfonyl)-5-phenyl-1H-pyrrol-3-yl)-N-methylmethanamine
CID 46866596
1-(4-methoxy-benzenesulfonyl)-7-phenyl-1H-pyrrolo[2,3-c]pyridine
CID 50940070
11-(4-Methoxyphenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene
CID 53328001
1-{1-[(4-Methoxyphenyl)sulfonyl]-5-phenyl-1H-pyrrol-3-yl}-N-methylmethanamine hydrochloride
CID 66924724
US9974785, Example 8
CID 118654355

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide (CID 72718495) is 4-methoxy-2-methyl-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is GNMRPHAWLCWIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-16-15-18(29-2)7-8-21(16)30(27,28)24-13-14-26-20-6-4-3-5-19(20)22(25-26)17-9-11-23-12-10-17/h7-12,15,24H,3-6,13-14H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide?
4-methoxy-2-methyl-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 426.54 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 72718495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).