2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline

C15H23ClN2O2S — CID 63157067

IUPAC2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline
SMILESCCC1(CC)CCN(S(=O)(=O)c2ccc(Cl)c(N)c2)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-3-15(4-2)7-9-18(10-8-15)21(19,20)12-5-6-13(16)14(17)11-12/h5-6,11H,3-4,7-10,17H2,1-2H3
InChIKeyKWVNDBMWSUEXMC-UHFFFAOYSA-N
MW330.88 g/mol
LogP3.51
Rot. Bonds4

About 2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline

2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline (PubChem CID 63157067) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline
PubChem CID63157067
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline
SMILESCCC1(CC)CCN(S(=O)(=O)c2ccc(Cl)c(N)c2)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-3-15(4-2)7-9-18(10-8-15)21(19,20)12-5-6-13(16)14(17)11-12/h5-6,11H,3-4,7-10,17H2,1-2H3
InChIKeyKWVNDBMWSUEXMC-UHFFFAOYSA-N
XLogP3.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 53.51
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-(3-bromo-4-chlorophenyl)sulfonyl-4,4-diethylpiperidine
CID 106612253
5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-2-chloroaniline
CID 63156801
2-chloro-5-pyrrolidin-1-ylsulfonylaniline
CID 2963514
2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline
CID 115330063
1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine
CID 63421307
2-chloro-5-(3,3-difluoropiperidin-1-yl)sulfonylaniline
CID 138985743
1-(3-amino-4-chlorophenyl)sulfonylpiperidin-4-ol
CID 29048073
2-(4,4-diethylpiperidin-1-yl)sulfonylaniline
CID 63156931
5-(4,4-diethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 63162212
2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43095930
5-(4-benzylpiperidin-1-yl)sulfonyl-2-chloroaniline
CID 23120376
2-chloro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 66391099

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline (CID 63157067) is 2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline is CCC1(CC)CCN(S(=O)(=O)c2ccc(Cl)c(N)c2)CC1.
What is the InChIKey of 2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline?
The InChIKey is KWVNDBMWSUEXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-3-15(4-2)7-9-18(10-8-15)21(19,20)12-5-6-13(16)14(17)11-12/h5-6,11H,3-4,7-10,17H2,1-2H3.
What are the key properties of 2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline?
2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline has a molecular weight of 330.88 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 63157067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).