4-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide

C18H19N3O5S — CID 60549411

IUPAC4-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O5S/c22-18(14-8-10-15(11-9-14)21(23)24)19-16-6-2-3-7-17(16)27(25,26)20-12-4-1-5-13-20/h2-3,6-11H,1,4-5,12-13H2,(H,19,22)
InChIKeyRPFUWADSTKFCFF-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.02
Rot. Bonds5

About 4-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide

4-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 60549411) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 4-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID60549411
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name4-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O5S/c22-18(14-8-10-15(11-9-14)21(23)24)19-16-6-2-3-7-17(16)27(25,26)20-12-4-1-5-13-20/h2-3,6-11H,1,4-5,12-13H2,(H,19,22)
InChIKeyRPFUWADSTKFCFF-UHFFFAOYSA-N
XLogP3.02
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.02
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

4-chloro-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 60549546
N-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2965881
4-(2-methoxyethylamino)-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55919689
4-methyl-N-(2-methyl-5-nitrophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 8991630
N-(2-fluoro-5-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 18267838
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-nitrobenzamide
CID 4820711
4-methyl-N-(4-nitrophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2876490
2-(2-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
CID 52662793
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 167857062
4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 4932409
(E)-3-(3-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 52662791
4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide
CID 4313341

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide (CID 60549411) is 4-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is RPFUWADSTKFCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c22-18(14-8-10-15(11-9-14)21(23)24)19-16-6-2-3-7-17(16)27(25,26)20-12-4-1-5-13-20/h2-3,6-11H,1,4-5,12-13H2,(H,19,22).
What are the key properties of 4-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide?
4-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 389.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 60549411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).