4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-2-pyridinyl)benzamide

C21H18ClN3O3S — CID 25163487

IUPAC4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)nc1
InChIInChI=1S/C21H18ClN3O3S/c1-14-6-9-20(23-13-14)24-21(26)16-7-8-17(22)19(12-16)29(27,28)25-11-10-15-4-2-3-5-18(15)25/h2-9,12-13H,10-11H2,1H3,(H,23,24,26)
InChIKeyBZSIVNGQBLQMDV-UHFFFAOYSA-N
MW427.91 g/mol
LogP4.05
Rot. Bonds4

About 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-2-pyridinyl)benzamide

4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 25163487) has the molecular formula C21H18ClN3O3S and a molecular weight of 427.91 g/mol. Its IUPAC name is 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID25163487
Molecular FormulaC21H18ClN3O3S
Molecular Weight427.91 g/mol
Exact Mass427.08
IUPAC Name4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)nc1
InChIInChI=1S/C21H18ClN3O3S/c1-14-6-9-20(23-13-14)24-21(26)16-7-8-17(22)19(12-16)29(27,28)25-11-10-15-4-2-3-5-18(15)25/h2-9,12-13H,10-11H2,1H3,(H,23,24,26)
InChIKeyBZSIVNGQBLQMDV-UHFFFAOYSA-N
XLogP4.05
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-2-pyridinyl)benzamide 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

N-(5-Chloro-pyridin-2-yl)-3-(piperidine-1-sulfonyl)-benzamide
CID 1124159
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
CID 2347598
3-[ethyl(phenyl)sulfamoyl]-N-(5-methylpyridin-2-yl)benzamide
CID 24816731
N-(5-chloropyridin-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 1039727
N-(2-(5-chloropyridin-2-ylcarbamoyl)phenyl)-2''-sulfamoylbiphenyl-4-carboxamide
CID 10207569
3-(Azepane-1-sulfonyl)-N-(5-chloro-pyridin-2-yl)-benzamide
CID 1322519
N-(5-Chloro-pyridin-2-yl)-3-diethylsulfamoyl-benzamide
CID 652548
2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-pyridin-2-ylbenzamide
CID 990951
2,4-Dichloro-N-[4-(pyridin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1078173
N-(5-Chloro-pyridin-2-yl)-3-(pyrrolidine-1-sulfonyl)-benzamide
CID 1117956
N-(5-chloro-2-pyridinyl)-4-[methyl(phenylsulfonyl)amino]benzamide
CID 1310460
N-Phenyl-3-(pyridin-2-ylsulfamoyl)-benzamide
CID 1355635

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-2-pyridinyl)benzamide (CID 25163487) is 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)nc1.
What is the InChIKey of 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is BZSIVNGQBLQMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3S/c1-14-6-9-20(23-13-14)24-21(26)16-7-8-17(22)19(12-16)29(27,28)25-11-10-15-4-2-3-5-18(15)25/h2-9,12-13H,10-11H2,1H3,(H,23,24,26).
What are the key properties of 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-2-pyridinyl)benzamide?
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 427.91 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 25163487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).