2-(4-aminopiperidin-1-yl)sulfonyl-6-chlorobenzonitrile;hydrochloride

C12H15Cl2N3O2S — CID 119958960

IUPAC2-(4-aminopiperidin-1-yl)sulfonyl-6-chlorobenzonitrile;hydrochloride
SMILESCl.N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C12H14ClN3O2S.ClH/c13-11-2-1-3-12(10(11)8-14)19(17,18)16-6-4-9(15)5-7-16;/h1-3,9H,4-7,15H2;1H
InChIKeyMWVNZANFOUKXTN-UHFFFAOYSA-N
MW336.24 g/mol
LogP1.75
Rot. Bonds2

About 2-(4-aminopiperidin-1-yl)sulfonyl-6-chlorobenzonitrile;hydrochloride

2-(4-aminopiperidin-1-yl)sulfonyl-6-chlorobenzonitrile;hydrochloride (PubChem CID 119958960) has the molecular formula C12H15Cl2N3O2S and a molecular weight of 336.24 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)sulfonyl-6-chlorobenzonitrile;hydrochloride.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)sulfonyl-6-chlorobenzonitrile;hydrochloride
PubChem CID119958960
Molecular FormulaC12H15Cl2N3O2S
Molecular Weight336.24 g/mol
Exact Mass335.03
IUPAC Name2-(4-aminopiperidin-1-yl)sulfonyl-6-chlorobenzonitrile;hydrochloride
SMILESCl.N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C12H14ClN3O2S.ClH/c13-11-2-1-3-12(10(11)8-14)19(17,18)16-6-4-9(15)5-7-16;/h1-3,9H,4-7,15H2;1H
InChIKeyMWVNZANFOUKXTN-UHFFFAOYSA-N
XLogP1.75
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylbenzonitrile;hydrochloride
CID 119987396
(3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 94340393
N-(2-aminoethyl)-1-(3-chloro-2-cyanophenyl)sulfonylpiperidine-3-carboxamide
CID 119971059
1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120705953
1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971606
(3S)-1-(3-chloro-2-cyanophenyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 129467290
1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959058
1-(2-aminophenyl)sulfonylazepan-4-amine
CID 89315995
(3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine
CID 94340426
3-chloro-2-cyanobenzenesulfonyl bromide
CID 22438383
1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959179
1-(3-bromo-2-fluorophenyl)sulfonylpiperidin-4-amine
CID 120705916

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)sulfonyl-6-chlorobenzonitrile;hydrochloride?
The IUPAC name of 2-(4-aminopiperidin-1-yl)sulfonyl-6-chlorobenzonitrile;hydrochloride (CID 119958960) is 2-(4-aminopiperidin-1-yl)sulfonyl-6-chlorobenzonitrile;hydrochloride.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)sulfonyl-6-chlorobenzonitrile;hydrochloride?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)sulfonyl-6-chlorobenzonitrile;hydrochloride is Cl.N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC(N)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)sulfonyl-6-chlorobenzonitrile;hydrochloride?
The InChIKey is MWVNZANFOUKXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S.ClH/c13-11-2-1-3-12(10(11)8-14)19(17,18)16-6-4-9(15)5-7-16;/h1-3,9H,4-7,15H2;1H.
What are the key properties of 2-(4-aminopiperidin-1-yl)sulfonyl-6-chlorobenzonitrile;hydrochloride?
2-(4-aminopiperidin-1-yl)sulfonyl-6-chlorobenzonitrile;hydrochloride has a molecular weight of 336.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)sulfonyl-6-chlorobenzonitrile;hydrochloride is sourced from PubChem (CID 119958960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).