3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline

C12H14Cl2N2O2S — CID 114407765

IUPAC3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
SMILESCC1=CCN(S(=O)(=O)c2c(Cl)cc(N)cc2Cl)CC1
InChIInChI=1S/C12H14Cl2N2O2S/c1-8-2-4-16(5-3-8)19(17,18)12-10(13)6-9(15)7-11(12)14/h2,6-7H,3-5,15H2,1H3
InChIKeyLUWMAUMNSSSIMQ-UHFFFAOYSA-N
MW321.23 g/mol
LogP2.92
Rot. Bonds2

About 3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline

3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline (PubChem CID 114407765) has the molecular formula C12H14Cl2N2O2S and a molecular weight of 321.23 g/mol. Its IUPAC name is 3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline.

Molecular Properties

Compound Name3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
PubChem CID114407765
Molecular FormulaC12H14Cl2N2O2S
Molecular Weight321.23 g/mol
Exact Mass320.02
IUPAC Name3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
SMILESCC1=CCN(S(=O)(=O)c2c(Cl)cc(N)cc2Cl)CC1
InChIInChI=1S/C12H14Cl2N2O2S/c1-8-2-4-16(5-3-8)19(17,18)12-10(13)6-9(15)7-11(12)14/h2,6-7H,3-5,15H2,1H3
InChIKeyLUWMAUMNSSSIMQ-UHFFFAOYSA-N
XLogP2.92
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.23
LogP ≤ 52.92
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'}

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Related Compounds

1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 115767032
3,4-difluoro-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 114407733
3-methyl-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 114407696
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 115767025
3,5-dichloro-4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 103504991
3,5-dichloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline
CID 43257069
4-chloro-3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzonitrile
CID 104919352
1-(4-chloro-2-methyl-5-nitrophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 115767003
3,5-dichloro-4-(3,4,5-trimethylpiperazin-1-yl)sulfonylaniline
CID 114542749
3,5-dichloro-4-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43257079
1-methyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]imidazol-4-amine
CID 114407682
3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-indol-5-amine
CID 114407791

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline?
The IUPAC name of 3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline (CID 114407765) is 3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline.
What is the SMILES notation for 3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline?
The canonical SMILES for 3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline is CC1=CCN(S(=O)(=O)c2c(Cl)cc(N)cc2Cl)CC1.
What is the InChIKey of 3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline?
The InChIKey is LUWMAUMNSSSIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2S/c1-8-2-4-16(5-3-8)19(17,18)12-10(13)6-9(15)7-11(12)14/h2,6-7H,3-5,15H2,1H3.
What are the key properties of 3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline?
3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline has a molecular weight of 321.23 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline is sourced from PubChem (CID 114407765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).