3,5-dichloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline

C14H20Cl2N2O2S — CID 114591883

IUPAC3,5-dichloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
SMILESCC1CC(C)C(C)N(S(=O)(=O)c2c(Cl)cc(N)cc2Cl)C1
InChIInChI=1S/C14H20Cl2N2O2S/c1-8-4-9(2)10(3)18(7-8)21(19,20)14-12(15)5-11(17)6-13(14)16/h5-6,8-10H,4,7,17H2,1-3H3
InChIKeyLMLNJAJZROHZFA-UHFFFAOYSA-N
MW351.30 g/mol
LogP3.63
Rot. Bonds2

About 3,5-dichloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline

3,5-dichloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline (PubChem CID 114591883) has the molecular formula C14H20Cl2N2O2S and a molecular weight of 351.30 g/mol. Its IUPAC name is 3,5-dichloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name3,5-dichloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
PubChem CID114591883
Molecular FormulaC14H20Cl2N2O2S
Molecular Weight351.30 g/mol
Exact Mass350.06
IUPAC Name3,5-dichloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
SMILESCC1CC(C)C(C)N(S(=O)(=O)c2c(Cl)cc(N)cc2Cl)C1
InChIInChI=1S/C14H20Cl2N2O2S/c1-8-4-9(2)10(3)18(7-8)21(19,20)14-12(15)5-11(17)6-13(14)16/h5-6,8-10H,4,7,17H2,1-3H3
InChIKeyLMLNJAJZROHZFA-UHFFFAOYSA-N
XLogP3.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 107327541
2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591958
1-(4-bromo-2-chlorophenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 114594707
2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591939
3,5-dichloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline
CID 43257069
2-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591895
[2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 107090902
3,5-dichloro-4-(3,4,5-trimethylpiperazin-1-yl)sulfonylaniline
CID 114542749
3,5-dichloro-4-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43257079
[5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylfuran-2-yl]methanamine
CID 114597738
4-(2,3,5-trimethylpiperidin-1-yl)sulfonylbenzenecarbothioamide
CID 114593322
1-(4-bromo-3-methylphenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 114594701

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 3,5-dichloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline (CID 114591883) is 3,5-dichloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 3,5-dichloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 3,5-dichloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline is CC1CC(C)C(C)N(S(=O)(=O)c2c(Cl)cc(N)cc2Cl)C1.
What is the InChIKey of 3,5-dichloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline?
The InChIKey is LMLNJAJZROHZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2S/c1-8-4-9(2)10(3)18(7-8)21(19,20)14-12(15)5-11(17)6-13(14)16/h5-6,8-10H,4,7,17H2,1-3H3.
What are the key properties of 3,5-dichloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline?
3,5-dichloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline has a molecular weight of 351.30 g/mol, XLogP of 3.63, 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-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 114591883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).