1-(3-nitrophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]methanesulfonamide

C19H21N3O5S — CID 92680035

IUPAC1-(3-nitrophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]methanesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N1CCCCC1
InChIInChI=1S/C19H21N3O5S/c23-19(21-11-4-1-5-12-21)17-9-2-3-10-18(17)20-28(26,27)14-15-7-6-8-16(13-15)22(24)25/h2-3,6-10,13,20H,1,4-5,11-12,14H2
InChIKeyGMXLOZGKHKKQAW-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.16
Rot. Bonds6

About 1-(3-nitrophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]methanesulfonamide

1-(3-nitrophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]methanesulfonamide (PubChem CID 92680035) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-nitrophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]methanesulfonamide
PubChem CID92680035
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name1-(3-nitrophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]methanesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N1CCCCC1
InChIInChI=1S/C19H21N3O5S/c23-19(21-11-4-1-5-12-21)17-9-2-3-10-18(17)20-28(26,27)14-15-7-6-8-16(13-15)22(24)25/h2-3,6-10,13,20H,1,4-5,11-12,14H2
InChIKeyGMXLOZGKHKKQAW-UHFFFAOYSA-N
XLogP3.16
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.16
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

2-[(3-nitrophenyl)methylsulfonylamino]-N-propylbenzamide
CID 28635564
1-(2-chlorophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]methanesulfonamide
CID 992785
3-nitro-N-[[2-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 4936132
2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4936008
1-(3,4-dichlorophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]methanesulfonamide
CID 134052293
N-(2,4-dimethylphenyl)-1-(3-nitrophenyl)methanesulfonamide
CID 38007901
4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 4932409
N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
CID 19061705
N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-3-nitrobenzenesulfonamide
CID 7484559
1-(azepan-1-yl)-2-[3-[(3-nitrophenyl)methylsulfonyl]indol-1-yl]ethanone
CID 18563618
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(3-nitrophenyl)methanesulfonamide
CID 92647567
N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
CID 1095030

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of 1-(3-nitrophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]methanesulfonamide (CID 92680035) is 1-(3-nitrophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-(3-nitrophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for 1-(3-nitrophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]methanesulfonamide is O=C(c1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N1CCCCC1.
What is the InChIKey of 1-(3-nitrophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]methanesulfonamide?
The InChIKey is GMXLOZGKHKKQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c23-19(21-11-4-1-5-12-21)17-9-2-3-10-18(17)20-28(26,27)14-15-7-6-8-16(13-15)22(24)25/h2-3,6-10,13,20H,1,4-5,11-12,14H2.
What are the key properties of 1-(3-nitrophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]methanesulfonamide?
1-(3-nitrophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]methanesulfonamide has a molecular weight of 403.46 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 92680035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).