2-methyl-5-[[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]sulfamoyl]benzoic acid

C16H19N3O4S — CID 100688114

IUPAC2-methyl-5-[[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]sulfamoyl]benzoic acid
SMILESCc1cn2c(n1)CC[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)O)c1)C2
InChIInChI=1S/C16H19N3O4S/c1-10-3-5-13(7-14(10)16(20)21)24(22,23)18-12-4-6-15-17-11(2)8-19(15)9-12/h3,5,7-8,12,18H,4,6,9H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyIPKQWRRGUJNWEV-GFCCVEGCSA-N
MW349.41 g/mol
LogP1.49
Rot. Bonds4

About 2-methyl-5-[[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]sulfamoyl]benzoic acid

2-methyl-5-[[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]sulfamoyl]benzoic acid (PubChem CID 100688114) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-methyl-5-[[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-methyl-5-[[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]sulfamoyl]benzoic acid
PubChem CID100688114
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name2-methyl-5-[[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]sulfamoyl]benzoic acid
SMILESCc1cn2c(n1)CC[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)O)c1)C2
InChIInChI=1S/C16H19N3O4S/c1-10-3-5-13(7-14(10)16(20)21)24(22,23)18-12-4-6-15-17-11(2)8-19(15)9-12/h3,5,7-8,12,18H,4,6,9H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyIPKQWRRGUJNWEV-GFCCVEGCSA-N
XLogP1.49
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]sulfamoyl]benzoic acid?
The IUPAC name of 2-methyl-5-[[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]sulfamoyl]benzoic acid (CID 100688114) is 2-methyl-5-[[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-methyl-5-[[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-methyl-5-[[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]sulfamoyl]benzoic acid is Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)O)c1)C2.
What is the InChIKey of 2-methyl-5-[[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]sulfamoyl]benzoic acid?
The InChIKey is IPKQWRRGUJNWEV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-10-3-5-13(7-14(10)16(20)21)24(22,23)18-12-4-6-15-17-11(2)8-19(15)9-12/h3,5,7-8,12,18H,4,6,9H2,1-2H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 2-methyl-5-[[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]sulfamoyl]benzoic acid?
2-methyl-5-[[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]sulfamoyl]benzoic acid has a molecular weight of 349.41 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]sulfamoyl]benzoic acid is sourced from PubChem (CID 100688114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).