4-amino-1-(3-chlorophenyl)sulfonylpiperidine-4-carbonitrile

C12H14ClN3O2S — CID 66817154

IUPAC4-amino-1-(3-chlorophenyl)sulfonylpiperidine-4-carbonitrile
SMILESN#CC1(N)CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H14ClN3O2S/c13-10-2-1-3-11(8-10)19(17,18)16-6-4-12(15,9-14)5-7-16/h1-3,8H,4-7,15H2
InChIKeyWIHRQHOYVXTBQC-UHFFFAOYSA-N
MW299.78 g/mol
LogP1.35
Rot. Bonds2

About 4-amino-1-(3-chlorophenyl)sulfonylpiperidine-4-carbonitrile

4-amino-1-(3-chlorophenyl)sulfonylpiperidine-4-carbonitrile (PubChem CID 66817154) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is 4-amino-1-(3-chlorophenyl)sulfonylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-amino-1-(3-chlorophenyl)sulfonylpiperidine-4-carbonitrile
PubChem CID66817154
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC Name4-amino-1-(3-chlorophenyl)sulfonylpiperidine-4-carbonitrile
SMILESN#CC1(N)CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H14ClN3O2S/c13-10-2-1-3-11(8-10)19(17,18)16-6-4-12(15,9-14)5-7-16/h1-3,8H,4-7,15H2
InChIKeyWIHRQHOYVXTBQC-UHFFFAOYSA-N
XLogP1.35
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959058
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-5-nitrobenzonitrile
CID 9111616
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylacetonitrile
CID 110349497
2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile
CID 8690706
4-methyl-1-(3-nitrophenyl)sulfonylpiperidine-4-carbonitrile
CID 104626572
1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine
CID 141178417
1-(3-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 3282411
(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993468
1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 23607548
1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971605
1'-(3-chlorophenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53005046

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-chlorophenyl)sulfonylpiperidine-4-carbonitrile?
The IUPAC name of 4-amino-1-(3-chlorophenyl)sulfonylpiperidine-4-carbonitrile (CID 66817154) is 4-amino-1-(3-chlorophenyl)sulfonylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-amino-1-(3-chlorophenyl)sulfonylpiperidine-4-carbonitrile?
The canonical SMILES for 4-amino-1-(3-chlorophenyl)sulfonylpiperidine-4-carbonitrile is N#CC1(N)CCN(S(=O)(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-amino-1-(3-chlorophenyl)sulfonylpiperidine-4-carbonitrile?
The InChIKey is WIHRQHOYVXTBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c13-10-2-1-3-11(8-10)19(17,18)16-6-4-12(15,9-14)5-7-16/h1-3,8H,4-7,15H2.
What are the key properties of 4-amino-1-(3-chlorophenyl)sulfonylpiperidine-4-carbonitrile?
4-amino-1-(3-chlorophenyl)sulfonylpiperidine-4-carbonitrile has a molecular weight of 299.78 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-chlorophenyl)sulfonylpiperidine-4-carbonitrile is sourced from PubChem (CID 66817154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).