N,N-diethyl-4-(7-methylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide

C18H21N3O2S — CID 797262

IUPACN,N-diethyl-4-(7-methylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2cn3ccc(C)cc3n2)cc1
InChIInChI=1S/C18H21N3O2S/c1-4-21(5-2)24(22,23)16-8-6-15(7-9-16)17-13-20-11-10-14(3)12-18(20)19-17/h6-13H,4-5H2,1-3H3
InChIKeyBSTAOECBBDMERY-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.34
Rot. Bonds5

About N,N-diethyl-4-(7-methylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide

N,N-diethyl-4-(7-methylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide (PubChem CID 797262) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N,N-diethyl-4-(7-methylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(7-methylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide
PubChem CID797262
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN,N-diethyl-4-(7-methylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2cn3ccc(C)cc3n2)cc1
InChIInChI=1S/C18H21N3O2S/c1-4-21(5-2)24(22,23)16-8-6-15(7-9-16)17-13-20-11-10-14(3)12-18(20)19-17/h6-13H,4-5H2,1-3H3
InChIKeyBSTAOECBBDMERY-UHFFFAOYSA-N
XLogP3.34
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(7-methylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-(7-methylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide (CID 797262) is N,N-diethyl-4-(7-methylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-(7-methylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-(7-methylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(-c2cn3ccc(C)cc3n2)cc1.
What is the InChIKey of N,N-diethyl-4-(7-methylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide?
The InChIKey is BSTAOECBBDMERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-4-21(5-2)24(22,23)16-8-6-15(7-9-16)17-13-20-11-10-14(3)12-18(20)19-17/h6-13H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4-(7-methylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide?
N,N-diethyl-4-(7-methylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(7-methylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide is sourced from PubChem (CID 797262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).