N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide

C20H20ClF3N2O4S — CID 18892199

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H20ClF3N2O4S/c1-30-17-8-5-13(11-18(17)31(28,29)26-9-3-2-4-10-26)19(27)25-16-12-14(20(22,23)24)6-7-15(16)21/h5-8,11-12H,2-4,9-10H2,1H3,(H,25,27)
InChIKeyQBKNHDFWDXLKML-UHFFFAOYSA-N
MW476.90 g/mol
LogP4.79
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 18892199) has the molecular formula C20H20ClF3N2O4S and a molecular weight of 476.90 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
PubChem CID18892199
Molecular FormulaC20H20ClF3N2O4S
Molecular Weight476.90 g/mol
Exact Mass476.08
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H20ClF3N2O4S/c1-30-17-8-5-13(11-18(17)31(28,29)26-9-3-2-4-10-26)19(27)25-16-12-14(20(22,23)24)6-7-15(16)21/h5-8,11-12H,2-4,9-10H2,1H3,(H,25,27)
InChIKeyQBKNHDFWDXLKML-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892289
4-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26175468
4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26725545
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892263
4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 27298305
N-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892206
3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)benzamide
CID 26620619
N-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892179
4-methoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 29409098
N-(3-chloro-4-fluorophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2083342
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 92647717
N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2665878

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide (CID 18892199) is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is QBKNHDFWDXLKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N2O4S/c1-30-17-8-5-13(11-18(17)31(28,29)26-9-3-2-4-10-26)19(27)25-16-12-14(20(22,23)24)6-7-15(16)21/h5-8,11-12H,2-4,9-10H2,1H3,(H,25,27).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 476.90 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 18892199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).