2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline

C14H21ClN2O2S — CID 115330063

IUPAC2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline
SMILESCCC1(C)CCN(S(=O)(=O)c2ccc(N)c(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2O2S/c1-3-14(2)6-8-17(9-7-14)20(18,19)11-4-5-13(16)12(15)10-11/h4-5,10H,3,6-9,16H2,1-2H3
InChIKeyZOXIBLSPZOYMRB-UHFFFAOYSA-N
MW316.85 g/mol
LogP3.12
Rot. Bonds3

About 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline

2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline (PubChem CID 115330063) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline
PubChem CID115330063
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline
SMILESCCC1(C)CCN(S(=O)(=O)c2ccc(N)c(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2O2S/c1-3-14(2)6-8-17(9-7-14)20(18,19)11-4-5-13(16)12(15)10-11/h4-5,10H,3,6-9,16H2,1-2H3
InChIKeyZOXIBLSPZOYMRB-UHFFFAOYSA-N
XLogP3.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 53.12
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

2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline
CID 63157067
2-chloro-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline
CID 113288420
N-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline
CID 63162308
2-chloro-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline
CID 115330070
2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline
CID 115329743
[1-(3-chloro-4-methylsulfanylphenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777209
[1-(4-bromo-3-chlorophenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120778219
3-chloro-5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methylaniline
CID 62937558
3-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline
CID 63157152
1-(3-bromo-4-chlorophenyl)sulfonyl-4,4-diethylpiperidine
CID 106612253
2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 113288410
4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloroaniline
CID 114460480

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline (CID 115330063) is 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline is CCC1(C)CCN(S(=O)(=O)c2ccc(N)c(Cl)c2)CC1.
What is the InChIKey of 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline?
The InChIKey is ZOXIBLSPZOYMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-3-14(2)6-8-17(9-7-14)20(18,19)11-4-5-13(16)12(15)10-11/h4-5,10H,3,6-9,16H2,1-2H3.
What are the key properties of 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline?
2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline has a molecular weight of 316.85 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 115330063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).