4-(6-chloroimidazo[1,2-a]pyridin-8-yl)-2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide

C23H25ClN6O2S — CID 67491038

IUPAC4-(6-chloroimidazo[1,2-a]pyridin-8-yl)-2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
SMILESCCc1cc(-c2cc(Cl)cn3ccnc23)ccc1S(=O)(=O)N[C@H]1CCC[C@@H](n2cnnc2)C1
InChIInChI=1S/C23H25ClN6O2S/c1-2-16-10-17(21-11-18(24)13-29-9-8-25-23(21)29)6-7-22(16)33(31,32)28-19-4-3-5-20(12-19)30-14-26-27-15-30/h6-11,13-15,19-20,28H,2-5,12H2,1H3/t19-,20+/m0/s1
InChIKeyPFIHLHBOOWZNKM-VQTJNVASSA-N
MW485.01 g/mol
LogP4.27
Rot. Bonds6

About 4-(6-chloroimidazo[1,2-a]pyridin-8-yl)-2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide

4-(6-chloroimidazo[1,2-a]pyridin-8-yl)-2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide (PubChem CID 67491038) has the molecular formula C23H25ClN6O2S and a molecular weight of 485.01 g/mol. Its IUPAC name is 4-(6-chloroimidazo[1,2-a]pyridin-8-yl)-2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(6-chloroimidazo[1,2-a]pyridin-8-yl)-2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
PubChem CID67491038
Molecular FormulaC23H25ClN6O2S
Molecular Weight485.01 g/mol
Exact Mass484.14
IUPAC Name4-(6-chloroimidazo[1,2-a]pyridin-8-yl)-2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
SMILESCCc1cc(-c2cc(Cl)cn3ccnc23)ccc1S(=O)(=O)N[C@H]1CCC[C@@H](n2cnnc2)C1
InChIInChI=1S/C23H25ClN6O2S/c1-2-16-10-17(21-11-18(24)13-29-9-8-25-23(21)29)6-7-22(16)33(31,32)28-19-4-3-5-20(12-19)30-14-26-27-15-30/h6-11,13-15,19-20,28H,2-5,12H2,1H3/t19-,20+/m0/s1
InChIKeyPFIHLHBOOWZNKM-VQTJNVASSA-N
XLogP4.27
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.01
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(6-chloroimidazo[1,2-a]pyridin-8-yl)-2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloroimidazo[1,2-a]pyridin-8-yl)-2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-(6-chloroimidazo[1,2-a]pyridin-8-yl)-2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide (CID 67491038) is 4-(6-chloroimidazo[1,2-a]pyridin-8-yl)-2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-(6-chloroimidazo[1,2-a]pyridin-8-yl)-2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-(6-chloroimidazo[1,2-a]pyridin-8-yl)-2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide is CCc1cc(-c2cc(Cl)cn3ccnc23)ccc1S(=O)(=O)N[C@H]1CCC[C@@H](n2cnnc2)C1.
What is the InChIKey of 4-(6-chloroimidazo[1,2-a]pyridin-8-yl)-2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The InChIKey is PFIHLHBOOWZNKM-VQTJNVASSA-N. The full InChI is InChI=1S/C23H25ClN6O2S/c1-2-16-10-17(21-11-18(24)13-29-9-8-25-23(21)29)6-7-22(16)33(31,32)28-19-4-3-5-20(12-19)30-14-26-27-15-30/h6-11,13-15,19-20,28H,2-5,12H2,1H3/t19-,20+/m0/s1.
What are the key properties of 4-(6-chloroimidazo[1,2-a]pyridin-8-yl)-2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
4-(6-chloroimidazo[1,2-a]pyridin-8-yl)-2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide has a molecular weight of 485.01 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloroimidazo[1,2-a]pyridin-8-yl)-2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 67491038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).