1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide

C26H33N3O4S — CID 46387322

IUPAC1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)C1
InChIInChI=1S/C26H33N3O4S/c30-25(27-22-12-4-1-2-5-13-22)21-11-9-17-29(19-21)26(31)20-10-8-14-23(18-20)28-34(32,33)24-15-6-3-7-16-24/h3,6-8,10,14-16,18,21-22,28H,1-2,4-5,9,11-13,17,19H2,(H,27,30)
InChIKeyQLIAQNDRYNSBGH-UHFFFAOYSA-N
MW483.63 g/mol
LogP4.18
Rot. Bonds6

About 1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide

1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide (PubChem CID 46387322) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is 1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide
PubChem CID46387322
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC Name1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)C1
InChIInChI=1S/C26H33N3O4S/c30-25(27-22-12-4-1-2-5-13-22)21-11-9-17-29(19-21)26(31)20-10-8-14-23(18-20)28-34(32,33)24-15-6-3-7-16-24/h3,6-8,10,14-16,18,21-22,28H,1-2,4-5,9,11-13,17,19H2,(H,27,30)
InChIKeyQLIAQNDRYNSBGH-UHFFFAOYSA-N
XLogP4.18
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 50830202
N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride
CID 119487809
1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 46578445
N-[3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 55349182
N-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 50829342
N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 46384573
(3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729184
N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803988
N-benzyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 50830133
N-cyclopropyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20974007
1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide
CID 20974043
3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 109065600

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide?
The IUPAC name of 1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide (CID 46387322) is 1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide?
The canonical SMILES for 1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide is O=C(NC1CCCCCC1)C1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)C1.
What is the InChIKey of 1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide?
The InChIKey is QLIAQNDRYNSBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c30-25(27-22-12-4-1-2-5-13-22)21-11-9-17-29(19-21)26(31)20-10-8-14-23(18-20)28-34(32,33)24-15-6-3-7-16-24/h3,6-8,10,14-16,18,21-22,28H,1-2,4-5,9,11-13,17,19H2,(H,27,30).
What are the key properties of 1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide?
1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide has a molecular weight of 483.63 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide is sourced from PubChem (CID 46387322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).