3-[[4-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-pyridinyl]amino]benzenesulfonamide

C22H21N5O2S — CID 142168234

IUPAC3-[[4-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-pyridinyl]amino]benzenesulfonamide
SMILESCc1ccc(-n2nc(C)cc2-c2ccnc(Nc3cccc(S(N)(=O)=O)c3)c2)cc1
InChIInChI=1S/C22H21N5O2S/c1-15-6-8-19(9-7-15)27-21(12-16(2)26-27)17-10-11-24-22(13-17)25-18-4-3-5-20(14-18)30(23,28)29/h3-14H,1-2H3,(H,24,25)(H2,23,28,29)
InChIKeyHJENNFXDPGLOEG-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.94
Rot. Bonds5

About 3-[[4-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-pyridinyl]amino]benzenesulfonamide

3-[[4-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-pyridinyl]amino]benzenesulfonamide (PubChem CID 142168234) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is 3-[[4-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-pyridinyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[[4-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-pyridinyl]amino]benzenesulfonamide
PubChem CID142168234
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC Name3-[[4-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-pyridinyl]amino]benzenesulfonamide
SMILESCc1ccc(-n2nc(C)cc2-c2ccnc(Nc3cccc(S(N)(=O)=O)c3)c2)cc1
InChIInChI=1S/C22H21N5O2S/c1-15-6-8-19(9-7-15)27-21(12-16(2)26-27)17-10-11-24-22(13-17)25-18-4-3-5-20(14-18)30(23,28)29/h3-14H,1-2H3,(H,24,25)(H2,23,28,29)
InChIKeyHJENNFXDPGLOEG-UHFFFAOYSA-N
XLogP3.94
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]pyridin-2-amine
CID 142168296
N-[4-[[4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-2-pyridinyl]amino]phenyl]acetamide
CID 142168233
3-methyl-1,5-bis(4-methylphenyl)pyrazole
CID 59881727
3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide
CID 10430851
3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide
CID 153326122
4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-2-methylsulfonylpyridine
CID 18676112
3-[[4-(2-methyl-4-nitroanilino)-2-pyridinyl]amino]benzenesulfonamide
CID 118514047
4-[3-(methylamino)-5-phenylpyrazol-1-yl]benzenesulfonamide
CID 22315384
4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-pyridin-4-ylpyridine
CID 139199315
4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine
CID 18676116
3-[[3-(3-sulfamoylanilino)-1H-pyrazol-5-yl]amino]benzenesulfonamide
CID 135063681
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 36591359

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-pyridinyl]amino]benzenesulfonamide?
The IUPAC name of 3-[[4-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-pyridinyl]amino]benzenesulfonamide (CID 142168234) is 3-[[4-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-pyridinyl]amino]benzenesulfonamide.
What is the SMILES notation for 3-[[4-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-pyridinyl]amino]benzenesulfonamide?
The canonical SMILES for 3-[[4-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-pyridinyl]amino]benzenesulfonamide is Cc1ccc(-n2nc(C)cc2-c2ccnc(Nc3cccc(S(N)(=O)=O)c3)c2)cc1.
What is the InChIKey of 3-[[4-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-pyridinyl]amino]benzenesulfonamide?
The InChIKey is HJENNFXDPGLOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-15-6-8-19(9-7-15)27-21(12-16(2)26-27)17-10-11-24-22(13-17)25-18-4-3-5-20(14-18)30(23,28)29/h3-14H,1-2H3,(H,24,25)(H2,23,28,29).
What are the key properties of 3-[[4-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-pyridinyl]amino]benzenesulfonamide?
3-[[4-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-pyridinyl]amino]benzenesulfonamide has a molecular weight of 419.51 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-pyridinyl]amino]benzenesulfonamide is sourced from PubChem (CID 142168234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).