2-chloro-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]benzamide

C18H18ClN3O5S — CID 108559903

IUPAC2-chloro-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]benzamide
SMILESO=C(NC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1Cl
InChIInChI=1S/C18H18ClN3O5S/c19-17-4-2-1-3-16(17)18(23)20-13-9-11-21(12-10-13)28(26,27)15-7-5-14(6-8-15)22(24)25/h1-8,13H,9-12H2,(H,20,23)
InChIKeyQIGUKGSEKFZJHU-UHFFFAOYSA-N
MW423.88 g/mol
LogP2.83
Rot. Bonds5

About 2-chloro-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]benzamide

2-chloro-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]benzamide (PubChem CID 108559903) has the molecular formula C18H18ClN3O5S and a molecular weight of 423.88 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]benzamide
PubChem CID108559903
Molecular FormulaC18H18ClN3O5S
Molecular Weight423.88 g/mol
Exact Mass423.07
IUPAC Name2-chloro-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]benzamide
SMILESO=C(NC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1Cl
InChIInChI=1S/C18H18ClN3O5S/c19-17-4-2-1-3-16(17)18(23)20-13-9-11-21(12-10-13)28(26,27)15-7-5-14(6-8-15)22(24)25/h1-8,13H,9-12H2,(H,20,23)
InChIKeyQIGUKGSEKFZJHU-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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'}

Analyze 2-chloro-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dihydroxy-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]benzamide
CID 108562893
5-methyl-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
CID 49460379
N-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine
CID 119979817
N-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide
CID 108561561
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218791
2-chloro-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108559899
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-sulfanylbenzamide
CID 108561601
N-[1-(2-chloro-5-nitrobenzoyl)piperidin-4-yl]-2-methylbenzamide
CID 55688878
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741
5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
2-chloro-N-cyclopentylbenzamide
CID 669043
2-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-nitrobenzamide
CID 26862516

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]benzamide (CID 108559903) is 2-chloro-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]benzamide is O=C(NC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]benzamide?
The InChIKey is QIGUKGSEKFZJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O5S/c19-17-4-2-1-3-16(17)18(23)20-13-9-11-21(12-10-13)28(26,27)15-7-5-14(6-8-15)22(24)25/h1-8,13H,9-12H2,(H,20,23).
What are the key properties of 2-chloro-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]benzamide?
2-chloro-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]benzamide has a molecular weight of 423.88 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]benzamide is sourced from PubChem (CID 108559903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).