4-methyl-3-nitro-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide

C24H24N4O5S — CID 41048759

IUPAC4-methyl-3-nitro-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3c3cccnc3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C24H24N4O5S/c1-17-7-8-18(15-23(17)28(30)31)24(29)26-20-9-11-21(12-10-20)34(32,33)27-14-3-2-6-22(27)19-5-4-13-25-16-19/h4-5,7-13,15-16,22H,2-3,6,14H2,1H3,(H,26,29)/t22-/m0/s1
InChIKeyWOJHYXTWJUQVFU-QFIPXVFZSA-N
MW480.55 g/mol
LogP4.47
Rot. Bonds6

About 4-methyl-3-nitro-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide

4-methyl-3-nitro-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide (PubChem CID 41048759) has the molecular formula C24H24N4O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is 4-methyl-3-nitro-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-nitro-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
PubChem CID41048759
Molecular FormulaC24H24N4O5S
Molecular Weight480.55 g/mol
Exact Mass480.15
IUPAC Name4-methyl-3-nitro-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3c3cccnc3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C24H24N4O5S/c1-17-7-8-18(15-23(17)28(30)31)24(29)26-20-9-11-21(12-10-20)34(32,33)27-14-3-2-6-22(27)19-5-4-13-25-16-19/h4-5,7-13,15-16,22H,2-3,6,14H2,1H3,(H,26,29)/t22-/m0/s1
InChIKeyWOJHYXTWJUQVFU-QFIPXVFZSA-N
XLogP4.47
TPSA122.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-bromo-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 40774853
3-methoxy-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 3622156
3-bromo-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41048774
N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 659759
2-chloro-5-nitro-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41048753
2-methoxy-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 40607024
2-ethoxy-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 40774857
2-oxo-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]chromene-3-carboxamide
CID 41048784
N-[4-[2-(6-methyl-3-pyridinyl)piperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide
CID 171378526
4-[(4-methyl-3-nitrobenzoyl)amino]benzenesulfonic acid
CID 3019589
3-phenyl-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide
CID 5182057
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitro-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide?
The IUPAC name of 4-methyl-3-nitro-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide (CID 41048759) is 4-methyl-3-nitro-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide.
What is the SMILES notation for 4-methyl-3-nitro-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide?
The canonical SMILES for 4-methyl-3-nitro-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3c3cccnc3)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitro-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide?
The InChIKey is WOJHYXTWJUQVFU-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H24N4O5S/c1-17-7-8-18(15-23(17)28(30)31)24(29)26-20-9-11-21(12-10-20)34(32,33)27-14-3-2-6-22(27)19-5-4-13-25-16-19/h4-5,7-13,15-16,22H,2-3,6,14H2,1H3,(H,26,29)/t22-/m0/s1.
What are the key properties of 4-methyl-3-nitro-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide?
4-methyl-3-nitro-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide has a molecular weight of 480.55 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitro-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide is sourced from PubChem (CID 41048759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).