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

C14H20Cl2N2O2S — CID 103504991

IUPAC3,5-dichloro-4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
SMILESCC(C)C1CCN(S(=O)(=O)c2c(Cl)cc(N)cc2Cl)CC1
InChIInChI=1S/C14H20Cl2N2O2S/c1-9(2)10-3-5-18(6-4-10)21(19,20)14-12(15)7-11(17)8-13(14)16/h7-10H,3-6,17H2,1-2H3
InChIKeyQSJAMEVBBYLFQM-UHFFFAOYSA-N
MW351.30 g/mol
LogP3.63
Rot. Bonds3

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

3,5-dichloro-4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline (PubChem CID 103504991) has the molecular formula C14H20Cl2N2O2S and a molecular weight of 351.30 g/mol. Its IUPAC name is 3,5-dichloro-4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name3,5-dichloro-4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
PubChem CID103504991
Molecular FormulaC14H20Cl2N2O2S
Molecular Weight351.30 g/mol
Exact Mass350.06
IUPAC Name3,5-dichloro-4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
SMILESCC(C)C1CCN(S(=O)(=O)c2c(Cl)cc(N)cc2Cl)CC1
InChIInChI=1S/C14H20Cl2N2O2S/c1-9(2)10-3-5-18(6-4-10)21(19,20)14-12(15)7-11(17)8-13(14)16/h7-10H,3-6,17H2,1-2H3
InChIKeyQSJAMEVBBYLFQM-UHFFFAOYSA-N
XLogP3.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

3-chloro-4-fluoro-5-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 103505020
3,5-dichloro-4-(3,4,5-trimethylpiperazin-1-yl)sulfonylaniline
CID 114542749
3,5-dichloro-4-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43257079
4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 104600089
3,5-dichloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline
CID 43257069
3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 114407765
4-ethyl-3-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 103505048
3,5-dichloro-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 106585755
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3,5-dichloroaniline
CID 61105694
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-propylpiperidine
CID 63421045
(3R)-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-3-amine
CID 115301799
1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974866

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 3,5-dichloro-4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline (CID 103504991) is 3,5-dichloro-4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 3,5-dichloro-4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 3,5-dichloro-4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline is CC(C)C1CCN(S(=O)(=O)c2c(Cl)cc(N)cc2Cl)CC1.
What is the InChIKey of 3,5-dichloro-4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline?
The InChIKey is QSJAMEVBBYLFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2S/c1-9(2)10-3-5-18(6-4-10)21(19,20)14-12(15)7-11(17)8-13(14)16/h7-10H,3-6,17H2,1-2H3.
What are the key properties of 3,5-dichloro-4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline?
3,5-dichloro-4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline has a molecular weight of 351.30 g/mol, XLogP of 3.63, 3 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-propan-2-ylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 103504991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).