N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4-dimethylbenzenesulfonamide

C16H17N3O2S — CID 3605146

IUPACN-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cn3ccccc3n2)c(C)c1
InChIInChI=1S/C16H17N3O2S/c1-12-6-7-15(13(2)9-12)22(20,21)17-10-14-11-19-8-4-3-5-16(19)18-14/h3-9,11,17H,10H2,1-2H3
InChIKeyLQRSIWZMUGYRBT-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.43
Rot. Bonds4

About N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4-dimethylbenzenesulfonamide

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4-dimethylbenzenesulfonamide (PubChem CID 3605146) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4-dimethylbenzenesulfonamide
PubChem CID3605146
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cn3ccccc3n2)c(C)c1
InChIInChI=1S/C16H17N3O2S/c1-12-6-7-15(13(2)9-12)22(20,21)17-10-14-11-19-8-4-3-5-16(19)18-14/h3-9,11,17H,10H2,1-2H3
InChIKeyLQRSIWZMUGYRBT-UHFFFAOYSA-N
XLogP2.43
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4-dimethylbenzenesulfonamide (CID 3605146) is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2cn3ccccc3n2)c(C)c1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is LQRSIWZMUGYRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-12-6-7-15(13(2)9-12)22(20,21)17-10-14-11-19-8-4-3-5-16(19)18-14/h3-9,11,17H,10H2,1-2H3.
What are the key properties of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4-dimethylbenzenesulfonamide?
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 315.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 3605146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).