1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine

C11H14ClN3O4S — CID 29034322

IUPAC1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1
InChIInChI=1S/C11H14ClN3O4S/c12-10-2-1-9(15(16)17)7-11(10)20(18,19)14-5-3-8(13)4-6-14/h1-2,7-8H,3-6,13H2
InChIKeyZECRWCDQBBKJTM-UHFFFAOYSA-N
MW319.77 g/mol
LogP1.36
Rot. Bonds3

About 1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine

1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine (PubChem CID 29034322) has the molecular formula C11H14ClN3O4S and a molecular weight of 319.77 g/mol. Its IUPAC name is 1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine
PubChem CID29034322
Molecular FormulaC11H14ClN3O4S
Molecular Weight319.77 g/mol
Exact Mass319.04
IUPAC Name1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1
InChIInChI=1S/C11H14ClN3O4S/c12-10-2-1-9(15(16)17)7-11(10)20(18,19)14-5-3-8(13)4-6-14/h1-2,7-8H,3-6,13H2
InChIKeyZECRWCDQBBKJTM-UHFFFAOYSA-N
XLogP1.36
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-3-amine
CID 28522353
1-(2-chloro-4-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971647
1-(2-chloro-5-nitrophenyl)sulfonylpyrrolidin-2-amine
CID 43101946
1-(2-chloro-5-nitrophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63031991
1-(2-chloro-5-nitrophenyl)sulfonyl-3-methoxypyrrolidine
CID 103532779
1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine
CID 164885281
1-(2-chloro-5-nitrophenyl)sulfonyl-3-methylpiperidin-2-amine
CID 107070692
1-(2-chloro-5-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536392
1-(2-chloro-5-nitrophenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide
CID 4798614
1-(2-chloro-5-nitrophenyl)sulfonyl-3,5-dimethylpiperidine
CID 43389412
1-(5-bromo-2-chlorophenyl)sulfonylpiperidin-4-amine
CID 119959333
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine
CID 115752093

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine?
The IUPAC name of 1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine (CID 29034322) is 1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for 1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine is NC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine?
The InChIKey is ZECRWCDQBBKJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O4S/c12-10-2-1-9(15(16)17)7-11(10)20(18,19)14-5-3-8(13)4-6-14/h1-2,7-8H,3-6,13H2.
What are the key properties of 1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine?
1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine has a molecular weight of 319.77 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 29034322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).