N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

C16H16ClF3N4O3S — CID 3238452

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C16H16ClF3N4O3S/c17-13-4-3-11(6-12(13)16(18,19)20)23-15(25)10-2-1-5-24(8-10)28(26,27)14-7-21-9-22-14/h3-4,6-7,9-10H,1-2,5,8H2,(H,21,22)(H,23,25)
InChIKeyMHUVFTSBLOXSJY-UHFFFAOYSA-N
MW436.84 g/mol
LogP3.12
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (PubChem CID 3238452) has the molecular formula C16H16ClF3N4O3S and a molecular weight of 436.84 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
PubChem CID3238452
Molecular FormulaC16H16ClF3N4O3S
Molecular Weight436.84 g/mol
Exact Mass436.06
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C16H16ClF3N4O3S/c17-13-4-3-11(6-12(13)16(18,19)20)23-15(25)10-2-1-5-24(8-10)28(26,27)14-7-21-9-22-14/h3-4,6-7,9-10H,1-2,5,8H2,(H,21,22)(H,23,25)
InChIKeyMHUVFTSBLOXSJY-UHFFFAOYSA-N
XLogP3.12
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.84
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (CID 3238452) is N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The InChIKey is MHUVFTSBLOXSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N4O3S/c17-13-4-3-11(6-12(13)16(18,19)20)23-15(25)10-2-1-5-24(8-10)28(26,27)14-7-21-9-22-14/h3-4,6-7,9-10H,1-2,5,8H2,(H,21,22)(H,23,25).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide has a molecular weight of 436.84 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 3238452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).