1-(benzenesulfonyl)-N-[4-chloro-2-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide

C23H22ClN3O5S — CID 55811797

IUPAC1-(benzenesulfonyl)-N-[4-chloro-2-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccco1
InChIInChI=1S/C23H22ClN3O5S/c24-17-8-9-19(20(15-17)26-23(29)21-7-4-14-32-21)25-22(28)16-10-12-27(13-11-16)33(30,31)18-5-2-1-3-6-18/h1-9,14-16H,10-13H2,(H,25,28)(H,26,29)
InChIKeySFLBXWGUZSBODZ-UHFFFAOYSA-N
MW487.97 g/mol
LogP4.22
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[4-chloro-2-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[4-chloro-2-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide (PubChem CID 55811797) has the molecular formula C23H22ClN3O5S and a molecular weight of 487.97 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[4-chloro-2-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[4-chloro-2-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
PubChem CID55811797
Molecular FormulaC23H22ClN3O5S
Molecular Weight487.97 g/mol
Exact Mass487.10
IUPAC Name1-(benzenesulfonyl)-N-[4-chloro-2-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccco1
InChIInChI=1S/C23H22ClN3O5S/c24-17-8-9-19(20(15-17)26-23(29)21-7-4-14-32-21)25-22(28)16-10-12-27(13-11-16)33(30,31)18-5-2-1-3-6-18/h1-9,14-16H,10-13H2,(H,25,28)(H,26,29)
InChIKeySFLBXWGUZSBODZ-UHFFFAOYSA-N
XLogP4.22
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.97
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide
CID 856521
1-(benzenesulfonyl)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 30862286
1-(benzenesulfonyl)-N-(4-bromo-2-fluorophenyl)piperidine-4-carboxamide
CID 4656098
N-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26115362
1-(4-acetylphenyl)sulfonyl-N-(2,5-dichlorophenyl)piperidine-4-carboxamide
CID 26577801
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327118
N-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26086131
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457
1-(4-chlorophenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-4-carboxamide
CID 18170489
1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 1326765
N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 1325689

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[4-chloro-2-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[4-chloro-2-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide (CID 55811797) is 1-(benzenesulfonyl)-N-[4-chloro-2-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[4-chloro-2-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[4-chloro-2-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide is O=C(Nc1cc(Cl)ccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccco1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[4-chloro-2-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide?
The InChIKey is SFLBXWGUZSBODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O5S/c24-17-8-9-19(20(15-17)26-23(29)21-7-4-14-32-21)25-22(28)16-10-12-27(13-11-16)33(30,31)18-5-2-1-3-6-18/h1-9,14-16H,10-13H2,(H,25,28)(H,26,29).
What are the key properties of 1-(benzenesulfonyl)-N-[4-chloro-2-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[4-chloro-2-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide has a molecular weight of 487.97 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[4-chloro-2-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55811797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).