4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide

C20H20N6O2S — CID 70684897

IUPAC4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCCCn1nc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2ccccc21
InChIInChI=1S/C20H20N6O2S/c1-2-13-26-18-6-4-3-5-16(18)19(25-26)17-11-12-22-20(24-17)23-14-7-9-15(10-8-14)29(21,27)28/h3-12H,2,13H2,1H3,(H2,21,27,28)(H,22,23,24)
InChIKeyVRHNNRWRKNFLEX-UHFFFAOYSA-N
MW408.49 g/mol
LogP3.29
Rot. Bonds6

About 4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide

4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 70684897) has the molecular formula C20H20N6O2S and a molecular weight of 408.49 g/mol. Its IUPAC name is 4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID70684897
Molecular FormulaC20H20N6O2S
Molecular Weight408.49 g/mol
Exact Mass408.14
IUPAC Name4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCCCn1nc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2ccccc21
InChIInChI=1S/C20H20N6O2S/c1-2-13-26-18-6-4-3-5-16(18)19(25-26)17-11-12-22-20(24-17)23-14-7-9-15(10-8-14)29(21,27)28/h3-12H,2,13H2,1H3,(H2,21,27,28)(H,22,23,24)
InChIKeyVRHNNRWRKNFLEX-UHFFFAOYSA-N
XLogP3.29
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Pazopanib
CID 10113978
Pazopanib Hydrochloride
CID 11525740
3-({4-[methyl(3-methyl-1H-indazol-6-yl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 21956341
Imidazo[1,2-b]pyridazine deriv. 2b
CID 6539038
N^4^-1H-Indazol-4-YL-N^2^-[3-(methylsulfonyl)phenyl]pyrimidine-2,4-diamine
CID 15980171
Benzenesulfonamide, 5-((4-((2,3-dimethyl-2H-indazol-6-yl)amino)-2-pyrimidinyl)amino)-2-methyl-
CID 68319455
N,N-Dimethyl-4-[(6r)-6-Methyl-5-(1h-Pyrrolo[2,3-B]pyridin-4-Yl)-4,5,6,7-Tetrahydropyrazolo[1,5-A]pyrazin-3-Yl]benzenesulfonamide
CID 86306050
3-{[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino}benzene-1-sulfonamide
CID 25138049
2-[4-(N-(3-Dimethylaminopropyl)sulphamoyl)anilino]-
CID 5288595
3-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 10180652
N~2~-(1,1-Dioxido-2,3-Dihydro-1,2-Benzothiazol-6-Yl)-5-Fluoro-N~4~-(1h-Indazol-4-Yl)-N~4~-Methylpyrimidine-2,4-Diamine
CID 15979351
3-({4-[methyl(2-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 24949548

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide (CID 70684897) is 4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide is CCCn1nc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2ccccc21.
What is the InChIKey of 4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is VRHNNRWRKNFLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2S/c1-2-13-26-18-6-4-3-5-16(18)19(25-26)17-11-12-22-20(24-17)23-14-7-9-15(10-8-14)29(21,27)28/h3-12H,2,13H2,1H3,(H2,21,27,28)(H,22,23,24).
What are the key properties of 4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 408.49 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 70684897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).