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

C19H18N6O2S — CID 70689145

IUPAC4-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCCn1nc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2ccccc21
InChIInChI=1S/C19H18N6O2S/c1-2-25-17-6-4-3-5-15(17)18(24-25)16-11-12-21-19(23-16)22-13-7-9-14(10-8-13)28(20,26)27/h3-12H,2H2,1H3,(H2,20,26,27)(H,21,22,23)
InChIKeyKUGVZTUWNUHAHF-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.90
Rot. Bonds5

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

4-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 70689145) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is 4-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID70689145
Molecular FormulaC19H18N6O2S
Molecular Weight394.46 g/mol
Exact Mass394.12
IUPAC Name4-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCCn1nc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2ccccc21
InChIInChI=1S/C19H18N6O2S/c1-2-25-17-6-4-3-5-15(17)18(24-25)16-11-12-21-19(23-16)22-13-7-9-14(10-8-13)28(20,26)27/h3-12H,2H2,1H3,(H2,20,26,27)(H,21,22,23)
InChIKeyKUGVZTUWNUHAHF-UHFFFAOYSA-N
XLogP2.90
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide (CID 70689145) is 4-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide is CCn1nc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2ccccc21.
What is the InChIKey of 4-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is KUGVZTUWNUHAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S/c1-2-25-17-6-4-3-5-15(17)18(24-25)16-11-12-21-19(23-16)22-13-7-9-14(10-8-13)28(20,26)27/h3-12H,2H2,1H3,(H2,20,26,27)(H,21,22,23).
What are the key properties of 4-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
4-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 394.46 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 70689145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).