N-(2-bromophenyl)sulfonyl-5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide

C29H27BrN4O4S2 — CID 54192793

IUPACN-(2-bromophenyl)sulfonyl-5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2)c(S(=O)(=O)NS(=O)(=O)c2ccccc2Br)c1
InChIInChI=1S/C29H27BrN4O4S2/c1-4-27-32-28-19(2)16-20(3)31-29(28)34(27)18-21-14-15-23(22-10-6-5-7-11-22)26(17-21)40(37,38)33-39(35,36)25-13-9-8-12-24(25)30/h5-17,33H,4,18H2,1-3H3
InChIKeyPJRQJGGYAJVCJF-UHFFFAOYSA-N
MW639.60 g/mol
LogP5.76
Rot. Bonds8

About N-(2-bromophenyl)sulfonyl-5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide

N-(2-bromophenyl)sulfonyl-5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide (PubChem CID 54192793) has the molecular formula C29H27BrN4O4S2 and a molecular weight of 639.60 g/mol. Its IUPAC name is N-(2-bromophenyl)sulfonyl-5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)sulfonyl-5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide
PubChem CID54192793
Molecular FormulaC29H27BrN4O4S2
Molecular Weight639.60 g/mol
Exact Mass638.07
IUPAC NameN-(2-bromophenyl)sulfonyl-5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2)c(S(=O)(=O)NS(=O)(=O)c2ccccc2Br)c1
InChIInChI=1S/C29H27BrN4O4S2/c1-4-27-32-28-19(2)16-20(3)31-29(28)34(27)18-21-14-15-23(22-10-6-5-7-11-22)26(17-21)40(37,38)33-39(35,36)25-13-9-8-12-24(25)30/h5-17,33H,4,18H2,1-3H3
InChIKeyPJRQJGGYAJVCJF-UHFFFAOYSA-N
XLogP5.76
TPSA111.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.60
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-bromophenyl)sulfonyl-5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide
CID 54442569
N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylbutanamide
CID 10028545
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethylaminomethyl)-4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzenesulfonamide
CID 59917086
4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline
CID 23156166
1-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-oxoindene-2-carboxylic acid
CID 11975311
ethyl (E)-2-bromo-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-phenylprop-2-enoate
CID 19425826
2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N'-hydrazinyl-4-phenylbenzenecarboximidamide
CID 145432665
2-bromo-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-phenylpropanoic acid
CID 10624963
N-[2-[2-[2-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]ethylamino]ethyl]acetamide
CID 69179727
4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-propylaniline
CID 19385717
3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-methylsulfonyl-3-phenylpropanamide
CID 10505227
3-[[4-[5-(4-bromophenyl)-2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine
CID 167346351

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)sulfonyl-5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide?
The IUPAC name of N-(2-bromophenyl)sulfonyl-5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide (CID 54192793) is N-(2-bromophenyl)sulfonyl-5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromophenyl)sulfonyl-5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide?
The canonical SMILES for N-(2-bromophenyl)sulfonyl-5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2)c(S(=O)(=O)NS(=O)(=O)c2ccccc2Br)c1.
What is the InChIKey of N-(2-bromophenyl)sulfonyl-5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide?
The InChIKey is PJRQJGGYAJVCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27BrN4O4S2/c1-4-27-32-28-19(2)16-20(3)31-29(28)34(27)18-21-14-15-23(22-10-6-5-7-11-22)26(17-21)40(37,38)33-39(35,36)25-13-9-8-12-24(25)30/h5-17,33H,4,18H2,1-3H3.
What are the key properties of N-(2-bromophenyl)sulfonyl-5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide?
N-(2-bromophenyl)sulfonyl-5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide has a molecular weight of 639.60 g/mol, XLogP of 5.76, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)sulfonyl-5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide is sourced from PubChem (CID 54192793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).