1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole

C18H11Cl2N3O2S — CID 70700794

IUPAC1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole
SMILESO=S(=O)(c1ccccc1)n1cc(-c2nc(Cl)ncc2Cl)c2ccccc21
InChIInChI=1S/C18H11Cl2N3O2S/c19-15-10-21-18(20)22-17(15)14-11-23(16-9-5-4-8-13(14)16)26(24,25)12-6-2-1-3-7-12/h1-11H
InChIKeyZSDGZYGEBQECGY-UHFFFAOYSA-N
MW404.28 g/mol
LogP4.64
Rot. Bonds3

About 1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole

1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole (PubChem CID 70700794) has the molecular formula C18H11Cl2N3O2S and a molecular weight of 404.28 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole
PubChem CID70700794
Molecular FormulaC18H11Cl2N3O2S
Molecular Weight404.28 g/mol
Exact Mass402.99
IUPAC Name1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole
SMILESO=S(=O)(c1ccccc1)n1cc(-c2nc(Cl)ncc2Cl)c2ccccc21
InChIInChI=1S/C18H11Cl2N3O2S/c19-15-10-21-18(20)22-17(15)14-11-23(16-9-5-4-8-13(14)16)26(24,25)12-6-2-1-3-7-12/h1-11H
InChIKeyZSDGZYGEBQECGY-UHFFFAOYSA-N
XLogP4.64
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.28
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole 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

1-(3-Chlorophenyl)sulfonyl-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline
CID 90469114
1-(3-chlorophenyl)sulfonyl-N-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-c]quinolin-4-amine
CID 90468813
1-(3-Chlorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline
CID 90469380
1-(3-Chlorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 137656063
4-Chloro-1-benzenesulfonyl-7-azaindole
CID 5060224
4-chloro-N-(3-(imidazo[1,2-a]pyrimidin-2-yl)phenyl)benzenesulfonamide
CID 15944833
4-(5-(5-Chloropyridin-2-ylamino)quinolin-3-yl)benzenesulfonamide
CID 44444039
4-[5-(4-Chlorophenyl)-4-(2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 162649664
4-[4-Chloro-5-(4-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 162659694
4-[4-(4-Chloroanilino)-5-(4-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 162663253
4-[4-(Benzylamino)-5-(4-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 162665148
1-(2-Chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 164618879

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole?
The IUPAC name of 1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole (CID 70700794) is 1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole?
The canonical SMILES for 1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole is O=S(=O)(c1ccccc1)n1cc(-c2nc(Cl)ncc2Cl)c2ccccc21.
What is the InChIKey of 1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole?
The InChIKey is ZSDGZYGEBQECGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N3O2S/c19-15-10-21-18(20)22-17(15)14-11-23(16-9-5-4-8-13(14)16)26(24,25)12-6-2-1-3-7-12/h1-11H.
What are the key properties of 1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole?
1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole has a molecular weight of 404.28 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole is sourced from PubChem (CID 70700794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).