N-[2-(dimethylamino)ethyl]-4-(3-imidazo[1,2-a]pyridin-3-ylanilino)benzenesulfonamide

C23H25N5O2S — CID 52942870

IUPACN-[2-(dimethylamino)ethyl]-4-(3-imidazo[1,2-a]pyridin-3-ylanilino)benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(Nc2cccc(-c3cnc4ccccn34)c2)cc1
InChIInChI=1S/C23H25N5O2S/c1-27(2)15-13-25-31(29,30)21-11-9-19(10-12-21)26-20-7-5-6-18(16-20)22-17-24-23-8-3-4-14-28(22)23/h3-12,14,16-17,25-26H,13,15H2,1-2H3
InChIKeyUTGUSPCINACJKQ-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.58
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-4-(3-imidazo[1,2-a]pyridin-3-ylanilino)benzenesulfonamide

N-[2-(dimethylamino)ethyl]-4-(3-imidazo[1,2-a]pyridin-3-ylanilino)benzenesulfonamide (PubChem CID 52942870) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(3-imidazo[1,2-a]pyridin-3-ylanilino)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(3-imidazo[1,2-a]pyridin-3-ylanilino)benzenesulfonamide
PubChem CID52942870
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(3-imidazo[1,2-a]pyridin-3-ylanilino)benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(Nc2cccc(-c3cnc4ccccn34)c2)cc1
InChIInChI=1S/C23H25N5O2S/c1-27(2)15-13-25-31(29,30)21-11-9-19(10-12-21)26-20-7-5-6-18(16-20)22-17-24-23-8-3-4-14-28(22)23/h3-12,14,16-17,25-26H,13,15H2,1-2H3
InChIKeyUTGUSPCINACJKQ-UHFFFAOYSA-N
XLogP3.58
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(3-imidazo[1,2-a]pyridin-3-ylanilino)benzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(3-imidazo[1,2-a]pyridin-3-ylanilino)benzenesulfonamide (CID 52942870) is N-[2-(dimethylamino)ethyl]-4-(3-imidazo[1,2-a]pyridin-3-ylanilino)benzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(3-imidazo[1,2-a]pyridin-3-ylanilino)benzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(3-imidazo[1,2-a]pyridin-3-ylanilino)benzenesulfonamide is CN(C)CCNS(=O)(=O)c1ccc(Nc2cccc(-c3cnc4ccccn34)c2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(3-imidazo[1,2-a]pyridin-3-ylanilino)benzenesulfonamide?
The InChIKey is UTGUSPCINACJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-27(2)15-13-25-31(29,30)21-11-9-19(10-12-21)26-20-7-5-6-18(16-20)22-17-24-23-8-3-4-14-28(22)23/h3-12,14,16-17,25-26H,13,15H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(3-imidazo[1,2-a]pyridin-3-ylanilino)benzenesulfonamide?
N-[2-(dimethylamino)ethyl]-4-(3-imidazo[1,2-a]pyridin-3-ylanilino)benzenesulfonamide has a molecular weight of 435.55 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(3-imidazo[1,2-a]pyridin-3-ylanilino)benzenesulfonamide is sourced from PubChem (CID 52942870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).