5-chloro-2-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline

C13H17ClN2O2S — CID 106313313

IUPAC5-chloro-2-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
SMILESCC1=CCCN(S(=O)(=O)c2cc(Cl)cc(N)c2C)C1
InChIInChI=1S/C13H17ClN2O2S/c1-9-4-3-5-16(8-9)19(17,18)13-7-11(14)6-12(15)10(13)2/h4,6-7H,3,5,8,15H2,1-2H3
InChIKeyPRRFLVGAWIGEAN-UHFFFAOYSA-N
MW300.81 g/mol
LogP2.57
Rot. Bonds2

About 5-chloro-2-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline

5-chloro-2-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline (PubChem CID 106313313) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 5-chloro-2-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline.

Molecular Properties

Compound Name5-chloro-2-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
PubChem CID106313313
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC Name5-chloro-2-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
SMILESCC1=CCCN(S(=O)(=O)c2cc(Cl)cc(N)c2C)C1
InChIInChI=1S/C13H17ClN2O2S/c1-9-4-3-5-16(8-9)19(17,18)13-7-11(14)6-12(15)10(13)2/h4,6-7H,3,5,8,15H2,1-2H3
InChIKeyPRRFLVGAWIGEAN-UHFFFAOYSA-N
XLogP2.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-chloro-2-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline 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-chloro-2-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
CID 106317121
5-chloro-3-(4-ethylpiperazin-1-yl)sulfonyl-2-methylaniline
CID 114378540
1-(3-amino-5-chloro-2-methylphenyl)sulfonylazetidin-3-ol
CID 107212153
3-(3-tert-butylpyrrolidin-1-yl)sulfonyl-5-chloro-2-methylaniline
CID 114380136
6-fluoro-2,4-dimethyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 106313380
1-(3-amino-5-chloro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 114378875
1-(2-fluoro-5-methylsulfonylphenyl)sulfonyl-5-methyl-3,6-dihydro-2H-pyridine
CID 106313643
5-chloro-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-methylaniline
CID 114379262
2-fluoro-3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 106313363
3-bromo-4-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzoic acid
CID 106313475
3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 114172233
[3,4-difluoro-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
CID 106317273

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline?
The IUPAC name of 5-chloro-2-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline (CID 106313313) is 5-chloro-2-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline.
What is the SMILES notation for 5-chloro-2-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline?
The canonical SMILES for 5-chloro-2-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline is CC1=CCCN(S(=O)(=O)c2cc(Cl)cc(N)c2C)C1.
What is the InChIKey of 5-chloro-2-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline?
The InChIKey is PRRFLVGAWIGEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c1-9-4-3-5-16(8-9)19(17,18)13-7-11(14)6-12(15)10(13)2/h4,6-7H,3,5,8,15H2,1-2H3.
What are the key properties of 5-chloro-2-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline?
5-chloro-2-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline has a molecular weight of 300.81 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline is sourced from PubChem (CID 106313313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).