4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide

C18H16N6O2S — CID 6539011

IUPAC4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCc1nc2ccccn2c1-c1ccnc(Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C18H16N6O2S/c1-12-17(24-11-3-2-4-16(24)21-12)15-9-10-20-18(23-15)22-13-5-7-14(8-6-13)27(19,25)26/h2-11H,1H3,(H2,19,25,26)(H,20,22,23)
InChIKeyDLYVGVOGPLQZFG-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.49
Rot. Bonds4

About 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide

4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 6539011) has the molecular formula C18H16N6O2S and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID6539011
Molecular FormulaC18H16N6O2S
Molecular Weight380.43 g/mol
Exact Mass380.11
IUPAC Name4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCc1nc2ccccn2c1-c1ccnc(Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C18H16N6O2S/c1-12-17(24-11-3-2-4-16(24)21-12)15-9-10-20-18(23-15)22-13-5-7-14(8-6-13)27(19,25)26/h2-11H,1H3,(H2,19,25,26)(H,20,22,23)
InChIKeyDLYVGVOGPLQZFG-UHFFFAOYSA-N
XLogP2.49
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide (CID 6539011) is 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide is Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is DLYVGVOGPLQZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2S/c1-12-17(24-11-3-2-4-16(24)21-12)15-9-10-20-18(23-15)22-13-5-7-14(8-6-13)27(19,25)26/h2-11H,1H3,(H2,19,25,26)(H,20,22,23).
What are the key properties of 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 380.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 6539011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).