4-chloro-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide

C18H18ClN3O5S — CID 60549546

IUPAC4-chloro-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C18H18ClN3O5S/c19-14-9-8-13(12-16(14)22(24)25)18(23)20-15-6-2-3-7-17(15)28(26,27)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11H2,(H,20,23)
InChIKeyJIMHYQFWVAVJFM-UHFFFAOYSA-N
MW423.88 g/mol
LogP3.68
Rot. Bonds5

About 4-chloro-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide

4-chloro-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 60549546) has the molecular formula C18H18ClN3O5S and a molecular weight of 423.88 g/mol. Its IUPAC name is 4-chloro-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID60549546
Molecular FormulaC18H18ClN3O5S
Molecular Weight423.88 g/mol
Exact Mass423.07
IUPAC Name4-chloro-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C18H18ClN3O5S/c19-14-9-8-13(12-16(14)22(24)25)18(23)20-15-6-2-3-7-17(15)28(26,27)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11H2,(H,20,23)
InChIKeyJIMHYQFWVAVJFM-UHFFFAOYSA-N
XLogP3.68
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.88
LogP ≤ 53.68
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-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 60549411
4-(2-methoxyethylamino)-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55919689
4-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-nitrobenzamide
CID 4796819
4-chloro-3-nitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 25467394
2-(2-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
CID 52662793
2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55817625
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157
4-chloro-3-nitro-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide
CID 5153892
4-chloro-3-nitro-N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4501031
4-chloro-N-(2-methyl-3-nitrophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 26796754
4-chloro-N-(2,3-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2599735
4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
CID 4933099

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-chloro-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide (CID 60549546) is 4-chloro-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-chloro-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is JIMHYQFWVAVJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O5S/c19-14-9-8-13(12-16(14)22(24)25)18(23)20-15-6-2-3-7-17(15)28(26,27)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11H2,(H,20,23).
What are the key properties of 4-chloro-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide?
4-chloro-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 423.88 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 60549546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).