1-(2-chlorophenyl)sulfonyl-4-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

C20H20ClF3N2O4S — CID 51001653

IUPAC1-(2-chlorophenyl)sulfonyl-4-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESCC1(C(=O)Nc2ccc(OC(F)(F)F)cc2)CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C20H20ClF3N2O4S/c1-19(18(27)25-14-6-8-15(9-7-14)30-20(22,23)24)10-12-26(13-11-19)31(28,29)17-5-3-2-4-16(17)21/h2-9H,10-13H2,1H3,(H,25,27)
InChIKeyHKAZOMXKVAINQK-UHFFFAOYSA-N
MW476.90 g/mol
LogP4.67
Rot. Bonds5

About 1-(2-chlorophenyl)sulfonyl-4-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

1-(2-chlorophenyl)sulfonyl-4-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 51001653) has the molecular formula C20H20ClF3N2O4S and a molecular weight of 476.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-4-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-4-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
PubChem CID51001653
Molecular FormulaC20H20ClF3N2O4S
Molecular Weight476.90 g/mol
Exact Mass476.08
IUPAC Name1-(2-chlorophenyl)sulfonyl-4-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESCC1(C(=O)Nc2ccc(OC(F)(F)F)cc2)CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C20H20ClF3N2O4S/c1-19(18(27)25-14-6-8-15(9-7-14)30-20(22,23)24)10-12-26(13-11-19)31(28,29)17-5-3-2-4-16(17)21/h2-9H,10-13H2,1H3,(H,25,27)
InChIKeyHKAZOMXKVAINQK-UHFFFAOYSA-N
XLogP4.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.90
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 51001229
1-(2-methylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 123293205
4-methyl-1-(4-methylphenyl)sulfonyl-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide
CID 51001411
1-(2-fluorophenyl)sulfonyl-4-hydroxy-N-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 50913221
1-(3-chloro-2-methylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 53070929
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-ethylphenyl)acetamide
CID 9391477
1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 3868161
4,7,7-trimethyl-2,3-dioxo-N-[4-(trifluoromethoxy)phenyl]bicyclo[2.2.1]heptane-1-carboxamide
CID 5296584
1-[(2R,4R)-1-(2-chlorophenyl)sulfonyl-2-(hydroxymethyl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 58190429
1-(benzenesulfonyl)-4-(hydroxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide
CID 70657784
N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 50914407
N-(4-tert-butylphenyl)-4-hydroxy-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 50914406

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (CID 51001653) is 1-(2-chlorophenyl)sulfonyl-4-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-4-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-4-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is CC1(C(=O)Nc2ccc(OC(F)(F)F)cc2)CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-4-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is HKAZOMXKVAINQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N2O4S/c1-19(18(27)25-14-6-8-15(9-7-14)30-20(22,23)24)10-12-26(13-11-19)31(28,29)17-5-3-2-4-16(17)21/h2-9H,10-13H2,1H3,(H,25,27).
What are the key properties of 1-(2-chlorophenyl)sulfonyl-4-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
1-(2-chlorophenyl)sulfonyl-4-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 476.90 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-4-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 51001653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).