N-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide

C18H19N3O5S — CID 2965881

IUPACN-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H19N3O5S/c22-18(19-15-6-8-16(9-7-15)21(23)24)14-4-10-17(11-5-14)27(25,26)20-12-2-1-3-13-20/h4-11H,1-3,12-13H2,(H,19,22)
InChIKeyDMNJUFKPVSYOML-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.02
Rot. Bonds5

About N-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide

N-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 2965881) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide
PubChem CID2965881
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H19N3O5S/c22-18(19-15-6-8-16(9-7-15)21(23)24)14-4-10-17(11-5-14)27(25,26)20-12-2-1-3-13-20/h4-11H,1-3,12-13H2,(H,19,22)
InChIKeyDMNJUFKPVSYOML-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

1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 4282639
3-nitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1011529
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
4-methyl-N-(4-nitrophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2876490
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028
N-(2-fluoro-5-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 18267838
4-bromo-3-nitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 26252644
4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2978605
2-(4-nitrophenyl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 2121931

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide (CID 2965881) is N-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is DMNJUFKPVSYOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c22-18(19-15-6-8-16(9-7-15)21(23)24)14-4-10-17(11-5-14)27(25,26)20-12-2-1-3-13-20/h4-11H,1-3,12-13H2,(H,19,22).
What are the key properties of N-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide?
N-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide 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 N-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2965881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).