N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylbenzenesulfonamide

C20H16ClN3O2S — CID 102360690

IUPACN-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(-c3ccc(Cl)cc3)nc3ccccn23)cc1
InChIInChI=1S/C20H16ClN3O2S/c1-14-5-11-17(12-6-14)27(25,26)23-20-19(15-7-9-16(21)10-8-15)22-18-4-2-3-13-24(18)20/h2-13,23H,1H3
InChIKeyKWWFZXYMWDVFJC-UHFFFAOYSA-N
MW397.89 g/mol
LogP4.76
Rot. Bonds4

About N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylbenzenesulfonamide

N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylbenzenesulfonamide (PubChem CID 102360690) has the molecular formula C20H16ClN3O2S and a molecular weight of 397.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylbenzenesulfonamide
PubChem CID102360690
Molecular FormulaC20H16ClN3O2S
Molecular Weight397.89 g/mol
Exact Mass397.07
IUPAC NameN-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(-c3ccc(Cl)cc3)nc3ccccn23)cc1
InChIInChI=1S/C20H16ClN3O2S/c1-14-5-11-17(12-6-14)27(25,26)23-20-19(15-7-9-16(21)10-8-15)22-18-4-2-3-13-24(18)20/h2-13,23H,1H3
InChIKeyKWWFZXYMWDVFJC-UHFFFAOYSA-N
XLogP4.76
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylbenzenesulfonamide (CID 102360690) is N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(-c3ccc(Cl)cc3)nc3ccccn23)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylbenzenesulfonamide?
The InChIKey is KWWFZXYMWDVFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2S/c1-14-5-11-17(12-6-14)27(25,26)23-20-19(15-7-9-16(21)10-8-15)22-18-4-2-3-13-24(18)20/h2-13,23H,1H3.
What are the key properties of N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylbenzenesulfonamide?
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylbenzenesulfonamide has a molecular weight of 397.89 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 102360690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).