1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine

C11H16ClN3O2S — CID 164885281

IUPAC1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine
SMILESNc1ccc(Cl)c(S(=O)(=O)N2CCC(N)CC2)c1
InChIInChI=1S/C11H16ClN3O2S/c12-10-2-1-9(14)7-11(10)18(16,17)15-5-3-8(13)4-6-15/h1-2,7-8H,3-6,13-14H2
InChIKeyNVZFVOPSANJHAA-UHFFFAOYSA-N
MW289.79 g/mol
LogP1.03
Rot. Bonds2

About 1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine

1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine (PubChem CID 164885281) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is 1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine
PubChem CID164885281
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine
SMILESNc1ccc(Cl)c(S(=O)(=O)N2CCC(N)CC2)c1
InChIInChI=1S/C11H16ClN3O2S/c12-10-2-1-9(14)7-11(10)18(16,17)15-5-3-8(13)4-6-15/h1-2,7-8H,3-6,13-14H2
InChIKeyNVZFVOPSANJHAA-UHFFFAOYSA-N
XLogP1.03
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-chlorophenyl)sulfonylpiperidin-4-amine
CID 119959333
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine
CID 115752093
(3S)-1-(5-amino-2-chlorophenyl)sulfonylpyrrolidin-3-ol
CID 94895309
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959277
4-chloro-3-(4-methylsulfonylpiperazin-1-yl)sulfonylaniline
CID 61125223
1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine
CID 29034322
4-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline
CID 28542859
2-(5-amino-2-chlorophenyl)sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855367
1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959179
(3R)-1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962428
1-(4-amino-2-chlorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43585650
N-(cyclopropylmethyl)-1-(2,5-dichlorophenyl)sulfonylpiperidin-4-amine
CID 119987518

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine?
The IUPAC name of 1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine (CID 164885281) is 1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for 1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine is Nc1ccc(Cl)c(S(=O)(=O)N2CCC(N)CC2)c1.
What is the InChIKey of 1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine?
The InChIKey is NVZFVOPSANJHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c12-10-2-1-9(14)7-11(10)18(16,17)15-5-3-8(13)4-6-15/h1-2,7-8H,3-6,13-14H2.
What are the key properties of 1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine?
1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine has a molecular weight of 289.79 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 164885281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).