4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide

C18H21FN4O5S2 — CID 55647465

IUPAC4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C18H21FN4O5S2/c19-13-1-5-17(6-2-13)30(27,28)22-15-9-11-23(12-10-15)18(24)21-14-3-7-16(8-4-14)29(20,25)26/h1-8,15,22H,9-12H2,(H,21,24)(H2,20,25,26)
InChIKeySXBMHOYFWZYWQT-UHFFFAOYSA-N
MW456.52 g/mol
LogP1.45
Rot. Bonds5

About 4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide

4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide (PubChem CID 55647465) has the molecular formula C18H21FN4O5S2 and a molecular weight of 456.52 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
PubChem CID55647465
Molecular FormulaC18H21FN4O5S2
Molecular Weight456.52 g/mol
Exact Mass456.09
IUPAC Name4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C18H21FN4O5S2/c19-13-1-5-17(6-2-13)30(27,28)22-15-9-11-23(12-10-15)18(24)21-14-3-7-16(8-4-14)29(20,25)26/h1-8,15,22H,9-12H2,(H,21,24)(H2,20,25,26)
InChIKeySXBMHOYFWZYWQT-UHFFFAOYSA-N
XLogP1.45
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methylphenyl)sulfonylamino]-N-phenylpiperidine-1-carboxamide
CID 46380328
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperidine-1-carboxamide
CID 138992828
N-(4-sulfamoylphenyl)azocane-1-carboxamide
CID 17414007
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
(4aS,8aS)-N-(4-sulfamoylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 40874748
N-[1-(4-aminobutanoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294498
4-bromo-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563657
4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90589838
N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide
CID 123534187
4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508654

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide (CID 55647465) is 4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide is NS(=O)(=O)c1ccc(NC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide?
The InChIKey is SXBMHOYFWZYWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O5S2/c19-13-1-5-17(6-2-13)30(27,28)22-15-9-11-23(12-10-15)18(24)21-14-3-7-16(8-4-14)29(20,25)26/h1-8,15,22H,9-12H2,(H,21,24)(H2,20,25,26).
What are the key properties of 4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide?
4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide has a molecular weight of 456.52 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 55647465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).