N-[1-(2-nitrophenyl)piperidin-4-yl]benzenesulfonamide

C17H19N3O4S — CID 26031512

IUPACN-[1-(2-nitrophenyl)piperidin-4-yl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H19N3O4S/c21-20(22)17-9-5-4-8-16(17)19-12-10-14(11-13-19)18-25(23,24)15-6-2-1-3-7-15/h1-9,14,18H,10-13H2
InChIKeyVMPSKJKVORBDNE-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.54
Rot. Bonds5

About N-[1-(2-nitrophenyl)piperidin-4-yl]benzenesulfonamide

N-[1-(2-nitrophenyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 26031512) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[1-(2-nitrophenyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-nitrophenyl)piperidin-4-yl]benzenesulfonamide
PubChem CID26031512
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-[1-(2-nitrophenyl)piperidin-4-yl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H19N3O4S/c21-20(22)17-9-5-4-8-16(17)19-12-10-14(11-13-19)18-25(23,24)15-6-2-1-3-7-15/h1-9,14,18H,10-13H2
InChIKeyVMPSKJKVORBDNE-UHFFFAOYSA-N
XLogP2.54
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.54
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

N-[1-(2-nitrophenyl)piperidin-4-yl]ethanesulfonamide
CID 78862241
4-[4-(benzenesulfonamido)piperidin-1-yl]-N-cyclopropyl-3-nitrobenzamide
CID 26031798
N-[1-(2-nitrobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 41470065
N-cyclopropyl-4-(2-nitroanilino)benzenesulfonamide
CID 118007792
N-(2-fluorophenyl)-1-(2-nitrophenyl)piperidin-4-amine
CID 133330809
4-(azetidin-1-yl)-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide
CID 25343713
4-benzyl-1-(2-nitrophenyl)piperidine
CID 7923050
N-(1-benzylpiperidin-4-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 46823353
N-(1-methylpiperidin-4-yl)-4-nitrobenzenesulfonamide
CID 22772515
N-(4-methylcyclohexyl)-3-nitro-4-(1-oxo-1,4-thiazinan-4-yl)benzenesulfonamide
CID 56539534
N-(4-nitro-3-piperazin-1-ylphenyl)benzenesulfonamide;hydrochloride
CID 22272495
N-(1-benzylpiperidin-4-yl)-2-nitrobenzenesulfonamide;hydrochloride
CID 18197763

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-nitrophenyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-(2-nitrophenyl)piperidin-4-yl]benzenesulfonamide (CID 26031512) is N-[1-(2-nitrophenyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(2-nitrophenyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(2-nitrophenyl)piperidin-4-yl]benzenesulfonamide is O=[N+]([O-])c1ccccc1N1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-(2-nitrophenyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is VMPSKJKVORBDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c21-20(22)17-9-5-4-8-16(17)19-12-10-14(11-13-19)18-25(23,24)15-6-2-1-3-7-15/h1-9,14,18H,10-13H2.
What are the key properties of N-[1-(2-nitrophenyl)piperidin-4-yl]benzenesulfonamide?
N-[1-(2-nitrophenyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 361.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-nitrophenyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 26031512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).