2-amino-5-nitro-N-(2-oxopiperidin-3-yl)benzenesulfonamide

C11H14N4O5S — CID 62147944

IUPAC2-amino-5-nitro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
SMILESNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCCNC1=O
InChIInChI=1S/C11H14N4O5S/c12-8-4-3-7(15(17)18)6-10(8)21(19,20)14-9-2-1-5-13-11(9)16/h3-4,6,9,14H,1-2,5,12H2,(H,13,16)
InChIKeyQUOAJKCBXKYRNE-UHFFFAOYSA-N
MW314.32 g/mol
LogP-0.27
Rot. Bonds4

About 2-amino-5-nitro-N-(2-oxopiperidin-3-yl)benzenesulfonamide

2-amino-5-nitro-N-(2-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 62147944) has the molecular formula C11H14N4O5S and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-amino-5-nitro-N-(2-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-nitro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID62147944
Molecular FormulaC11H14N4O5S
Molecular Weight314.32 g/mol
Exact Mass314.07
IUPAC Name2-amino-5-nitro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
SMILESNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCCNC1=O
InChIInChI=1S/C11H14N4O5S/c12-8-4-3-7(15(17)18)6-10(8)21(19,20)14-9-2-1-5-13-11(9)16/h3-4,6,9,14H,1-2,5,12H2,(H,13,16)
InChIKeyQUOAJKCBXKYRNE-UHFFFAOYSA-N
XLogP-0.27
TPSA144.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 62092532
2-amino-N-(2,2-dimethylcyclopentyl)-5-nitrobenzenesulfonamide
CID 79870393
2-amino-N-(3-methylcyclohexyl)-5-nitrobenzenesulfonamide
CID 62146579
2-amino-N-(cyclopentylmethyl)-5-nitrobenzenesulfonamide
CID 62143602
5-chloro-4-nitro-N-(2-oxopiperidin-3-yl)thiophene-2-sulfonamide
CID 80742177
2-amino-N-tert-butyl-5-nitrobenzenesulfonamide
CID 62148445
4-bromo-2-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 116528562
N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457209
4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 79185146
3-amino-5-fluoro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 116791797
2-bromo-N-[(3S)-2-oxoazepan-3-yl]benzenesulfonamide
CID 51979852
N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 54761931

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-nitro-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-5-nitro-N-(2-oxopiperidin-3-yl)benzenesulfonamide (CID 62147944) is 2-amino-5-nitro-N-(2-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-nitro-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-nitro-N-(2-oxopiperidin-3-yl)benzenesulfonamide is Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCCNC1=O.
What is the InChIKey of 2-amino-5-nitro-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is QUOAJKCBXKYRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5S/c12-8-4-3-7(15(17)18)6-10(8)21(19,20)14-9-2-1-5-13-11(9)16/h3-4,6,9,14H,1-2,5,12H2,(H,13,16).
What are the key properties of 2-amino-5-nitro-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
2-amino-5-nitro-N-(2-oxopiperidin-3-yl)benzenesulfonamide has a molecular weight of 314.32 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-nitro-N-(2-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 62147944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).