N-[2-(methanesulfonamido)ethyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

C16H16F3N3O3S — CID 118766693

IUPACN-[2-(methanesulfonamido)ethyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCS(=O)(=O)NCCNC(=O)c1ccc(-c2ncccc2C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N3O3S/c1-26(24,25)22-10-9-21-15(23)12-6-4-11(5-7-12)14-13(16(17,18)19)3-2-8-20-14/h2-8,22H,9-10H2,1H3,(H,21,23)
InChIKeyCHSKFRIKSUFGHS-UHFFFAOYSA-N
MW387.38 g/mol
LogP2.05
Rot. Bonds6

About N-[2-(methanesulfonamido)ethyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

N-[2-(methanesulfonamido)ethyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 118766693) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID118766693
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC NameN-[2-(methanesulfonamido)ethyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCS(=O)(=O)NCCNC(=O)c1ccc(-c2ncccc2C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N3O3S/c1-26(24,25)22-10-9-21-15(23)12-6-4-11(5-7-12)14-13(16(17,18)19)3-2-8-20-14/h2-8,22H,9-10H2,1H3,(H,21,23)
InChIKeyCHSKFRIKSUFGHS-UHFFFAOYSA-N
XLogP2.05
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(oxan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118760932
2-(methanesulfonamido)-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 10255515
3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
CID 104741062
4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide
CID 108572051
N-[4-tert-butyl-3-(2-hydroxyethoxy)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 11328609
4-bromo-3-(dimethylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55969923
N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]pyridine-2-carboxamide
CID 108540814
4-[(4-methoxyphenyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55834263
N-[2-(methanesulfonamido)ethyl]-4-nitrobenzamide
CID 40718557
N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide
CID 74240949
N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 62168878
N-[2-(sulfamoylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 75402734

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (CID 118766693) is N-[2-(methanesulfonamido)ethyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is CS(=O)(=O)NCCNC(=O)c1ccc(-c2ncccc2C(F)(F)F)cc1.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is CHSKFRIKSUFGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c1-26(24,25)22-10-9-21-15(23)12-6-4-11(5-7-12)14-13(16(17,18)19)3-2-8-20-14/h2-8,22H,9-10H2,1H3,(H,21,23).
What are the key properties of N-[2-(methanesulfonamido)ethyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
N-[2-(methanesulfonamido)ethyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 387.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 118766693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).