N-cycloheptyl-1-(4-fluoro-2-nitrophenyl)sulfonylpiperidine-4-carboxamide

C19H26FN3O5S — CID 57391544

IUPACN-cycloheptyl-1-(4-fluoro-2-nitrophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H26FN3O5S/c20-15-7-8-18(17(13-15)23(25)26)29(27,28)22-11-9-14(10-12-22)19(24)21-16-5-3-1-2-4-6-16/h7-8,13-14,16H,1-6,9-12H2,(H,21,24)
InChIKeyDPUOECZUUULBLU-UHFFFAOYSA-N
MW427.50 g/mol
LogP2.97
Rot. Bonds5

About N-cycloheptyl-1-(4-fluoro-2-nitrophenyl)sulfonylpiperidine-4-carboxamide

N-cycloheptyl-1-(4-fluoro-2-nitrophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 57391544) has the molecular formula C19H26FN3O5S and a molecular weight of 427.50 g/mol. Its IUPAC name is N-cycloheptyl-1-(4-fluoro-2-nitrophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(4-fluoro-2-nitrophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID57391544
Molecular FormulaC19H26FN3O5S
Molecular Weight427.50 g/mol
Exact Mass427.16
IUPAC NameN-cycloheptyl-1-(4-fluoro-2-nitrophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H26FN3O5S/c20-15-7-8-18(17(13-15)23(25)26)29(27,28)22-11-9-14(10-12-22)19(24)21-16-5-3-1-2-4-6-16/h7-8,13-14,16H,1-6,9-12H2,(H,21,24)
InChIKeyDPUOECZUUULBLU-UHFFFAOYSA-N
XLogP2.97
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 52.97
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-{methyl[(4-nitrophenyl)sulfonyl]amino}-N-(2,2,6,6-tetramethyl-4-piperidinyl)butanamide
CID 2961008
Cyclohexanecarboxylic acid [1-(3-nitro-benzenesulfonyl)-piperidin-4-yl]-amide
CID 3218809
N-cycloheptyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 17410717
N-cycloheptyl-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 57393387
N-cycloheptyl-1-(4-isocyanatophenyl)sulfonylpiperidine-4-carboxamide
CID 57396877
N-cycloheptyl-1-(3-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 57400244
1-(2-Nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 818663
N-cyclohexyl-N-methyl-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 1535360
N-benzyl-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 26532268
1-(4-fluorophenyl)sulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 1327503
(4-Methylpiperazin-1-yl)-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]methanone
CID 2322325
2-nitro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide
CID 25023563

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(4-fluoro-2-nitrophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-(4-fluoro-2-nitrophenyl)sulfonylpiperidine-4-carboxamide (CID 57391544) is N-cycloheptyl-1-(4-fluoro-2-nitrophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(4-fluoro-2-nitrophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(4-fluoro-2-nitrophenyl)sulfonylpiperidine-4-carboxamide is O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])CC1.
What is the InChIKey of N-cycloheptyl-1-(4-fluoro-2-nitrophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is DPUOECZUUULBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O5S/c20-15-7-8-18(17(13-15)23(25)26)29(27,28)22-11-9-14(10-12-22)19(24)21-16-5-3-1-2-4-6-16/h7-8,13-14,16H,1-6,9-12H2,(H,21,24).
What are the key properties of N-cycloheptyl-1-(4-fluoro-2-nitrophenyl)sulfonylpiperidine-4-carboxamide?
N-cycloheptyl-1-(4-fluoro-2-nitrophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(4-fluoro-2-nitrophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 57391544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).