3,4-dichloro-2-methoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide

C21H17Cl2N3O3S — CID 983383

IUPAC3,4-dichloro-2-methoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
SMILESCOc1c(S(=O)(=O)Nc2cccc(-c3cn4ccc(C)cc4n3)c2)ccc(Cl)c1Cl
InChIInChI=1S/C21H17Cl2N3O3S/c1-13-8-9-26-12-17(24-19(26)10-13)14-4-3-5-15(11-14)25-30(27,28)18-7-6-16(22)20(23)21(18)29-2/h3-12,25H,1-2H3
InChIKeyUQEYQWRSFOQIKP-UHFFFAOYSA-N
MW462.36 g/mol
LogP5.43
Rot. Bonds5

About 3,4-dichloro-2-methoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide

3,4-dichloro-2-methoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide (PubChem CID 983383) has the molecular formula C21H17Cl2N3O3S and a molecular weight of 462.36 g/mol. Its IUPAC name is 3,4-dichloro-2-methoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-2-methoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
PubChem CID983383
Molecular FormulaC21H17Cl2N3O3S
Molecular Weight462.36 g/mol
Exact Mass461.04
IUPAC Name3,4-dichloro-2-methoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
SMILESCOc1c(S(=O)(=O)Nc2cccc(-c3cn4ccc(C)cc4n3)c2)ccc(Cl)c1Cl
InChIInChI=1S/C21H17Cl2N3O3S/c1-13-8-9-26-12-17(24-19(26)10-13)14-4-3-5-15(11-14)25-30(27,28)18-7-6-16(22)20(23)21(18)29-2/h3-12,25H,1-2H3
InChIKeyUQEYQWRSFOQIKP-UHFFFAOYSA-N
XLogP5.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.36
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 6494028
1-(4-chlorophenyl)-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide
CID 122285001
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 122283297
2-methoxy-5-[[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]sulfamoyl]benzamide
CID 122285031
1,3,5-trimethyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide
CID 122285014
N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butane-1-sulfonamide
CID 122284854
1-(2-fluorophenyl)-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide
CID 122285018
2-(4-chlorophenoxy)-2-methyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 121055730
2-methoxy-5-methyl-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122284192
N-[4-[(3-imidazo[1,2-a]pyridin-2-ylphenyl)sulfamoyl]-3-methylphenyl]acetamide
CID 122283470
3,5-dimethyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121090021
4-methyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121028698

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-methoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-2-methoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide (CID 983383) is 3,4-dichloro-2-methoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-2-methoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-2-methoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide is COc1c(S(=O)(=O)Nc2cccc(-c3cn4ccc(C)cc4n3)c2)ccc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-2-methoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is UQEYQWRSFOQIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O3S/c1-13-8-9-26-12-17(24-19(26)10-13)14-4-3-5-15(11-14)25-30(27,28)18-7-6-16(22)20(23)21(18)29-2/h3-12,25H,1-2H3.
What are the key properties of 3,4-dichloro-2-methoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide?
3,4-dichloro-2-methoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 462.36 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-methoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 983383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).