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

C18H19N3O5S — CID 1011529

IUPAC3-nitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O5S/c22-18(14-5-4-6-16(13-14)21(23)24)19-15-7-9-17(10-8-15)27(25,26)20-11-2-1-3-12-20/h4-10,13H,1-3,11-12H2,(H,19,22)
InChIKeyVHCGKEDAIWZXDG-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.02
Rot. Bonds5

About 3-nitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

3-nitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 1011529) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 3-nitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-nitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID1011529
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name3-nitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O5S/c22-18(14-5-4-6-16(13-14)21(23)24)19-15-7-9-17(10-8-15)27(25,26)20-11-2-1-3-12-20/h4-10,13H,1-3,11-12H2,(H,19,22)
InChIKeyVHCGKEDAIWZXDG-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

3-nitro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759828
1-[(3-nitrobenzoyl)amino]-3-(4-piperidin-1-ylsulfonylphenyl)thiourea
CID 131737969
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-nitrobenzamide
CID 1011635
N-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2965881
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-nitrobenzamide
CID 17432348
N-[3-(azepan-1-ylsulfonyl)phenyl]-3,5-dinitrobenzamide
CID 13098766
N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-3-nitrobenzamide
CID 1300430
3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3384883
4-bromo-3-nitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 26252644
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 100619897
4-[(3-nitrobenzoyl)amino]benzenesulfonyl chloride
CID 13315406

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-nitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (CID 1011529) is 3-nitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-nitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-nitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is VHCGKEDAIWZXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c22-18(14-5-4-6-16(13-14)21(23)24)19-15-7-9-17(10-8-15)27(25,26)20-11-2-1-3-12-20/h4-10,13H,1-3,11-12H2,(H,19,22).
What are the key properties of 3-nitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
3-nitro-N-(4-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 3-nitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 1011529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).