2-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N-methylethanamine

C17H18ClN3O2S — CID 67216563

IUPAC2-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N-methylethanamine
SMILESCNCCc1cnc2c(ccn2S(=O)(=O)c2ccc(C)cc2)c1Cl
InChIInChI=1S/C17H18ClN3O2S/c1-12-3-5-14(6-4-12)24(22,23)21-10-8-15-16(18)13(7-9-19-2)11-20-17(15)21/h3-6,8,10-11,19H,7,9H2,1-2H3
InChIKeySVCXTDGUWXCNAS-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.00
Rot. Bonds5

About 2-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N-methylethanamine

2-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N-methylethanamine (PubChem CID 67216563) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is 2-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N-methylethanamine
PubChem CID67216563
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC Name2-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N-methylethanamine
SMILESCNCCc1cnc2c(ccn2S(=O)(=O)c2ccc(C)cc2)c1Cl
InChIInChI=1S/C17H18ClN3O2S/c1-12-3-5-14(6-4-12)24(22,23)21-10-8-15-16(18)13(7-9-19-2)11-20-17(15)21/h3-6,8,10-11,19H,7,9H2,1-2H3
InChIKeySVCXTDGUWXCNAS-UHFFFAOYSA-N
XLogP3.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N-methylethanamine 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-[2-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]ethyl]butan-1-amine
CID 129131323
[4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methanol
CID 68791607
4-chloro-5-[(Z)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 175140553
5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine
CID 67078609
CID 164970592
CID 164970592
4-bromo-5-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 137347373
4-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
CID 58691740
3-methyl-10-(4-methylphenyl)sulfonyl-3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 141466911
1-(4-methylphenyl)sulfonyl-4-N-piperidin-1-ylpyrrolo[2,3-b]pyridine-4,5-diamine
CID 150240734
1-(benzenesulfonyl)-4-chloro-5-phenylpyrrolo[2,3-b]pyridine
CID 68762479
4-chloro-7-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]pyrrolo[2,3-d]pyrimidine
CID 175673414
(2R)-2-N-[10-(4-methylphenyl)sulfonyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]butane-1,2-diamine
CID 164575240

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N-methylethanamine?
The IUPAC name of 2-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N-methylethanamine (CID 67216563) is 2-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N-methylethanamine is CNCCc1cnc2c(ccn2S(=O)(=O)c2ccc(C)cc2)c1Cl.
What is the InChIKey of 2-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N-methylethanamine?
The InChIKey is SVCXTDGUWXCNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c1-12-3-5-14(6-4-12)24(22,23)21-10-8-15-16(18)13(7-9-19-2)11-20-17(15)21/h3-6,8,10-11,19H,7,9H2,1-2H3.
What are the key properties of 2-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N-methylethanamine?
2-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N-methylethanamine has a molecular weight of 363.87 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N-methylethanamine is sourced from PubChem (CID 67216563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).