N-(2,2,2-trifluoroethyl)-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]benzamide

C19H25F3N2O3S — CID 55353239

IUPACN-(2,2,2-trifluoroethyl)-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]benzamide
SMILESCC1(C)C2CCC1(C)C(NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)C2
InChIInChI=1S/C19H25F3N2O3S/c1-17(2)13-8-9-18(17,3)15(10-13)24-28(26,27)14-6-4-12(5-7-14)16(25)23-11-19(20,21)22/h4-7,13,15,24H,8-11H2,1-3H3,(H,23,25)
InChIKeyMTDPVQVDMHCKEZ-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.47
Rot. Bonds5

About N-(2,2,2-trifluoroethyl)-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]benzamide

N-(2,2,2-trifluoroethyl)-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]benzamide (PubChem CID 55353239) has the molecular formula C19H25F3N2O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]benzamide
PubChem CID55353239
Molecular FormulaC19H25F3N2O3S
Molecular Weight418.48 g/mol
Exact Mass418.15
IUPAC NameN-(2,2,2-trifluoroethyl)-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]benzamide
SMILESCC1(C)C2CCC1(C)C(NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)C2
InChIInChI=1S/C19H25F3N2O3S/c1-17(2)13-8-9-18(17,3)15(10-13)24-28(26,27)14-6-4-12(5-7-14)16(25)23-11-19(20,21)22/h4-7,13,15,24H,8-11H2,1-3H3,(H,23,25)
InChIKeyMTDPVQVDMHCKEZ-UHFFFAOYSA-N
XLogP3.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,2,2-trifluoroethyl)-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]benzamide with MolForge

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Related Compounds

N-[4-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfamoyl]phenyl]acetamide
CID 23308718
4-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide
CID 60540246
1-(2,2,2-trifluoroethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-sulfonamide
CID 136532485
4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 78808928
4-(difluoromethylsulfonyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 55335313
4-(dimethylsulfamoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 55335277
4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8817212
4-[(3-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 120725183
4-(cyanomethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 9452221
4-iodo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 60629735
N-(2-amino-2-methylpropyl)-4-(cyclopropylsulfamoyl)benzamide
CID 119628503
4-[3-(methylamino)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119965025

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]benzamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]benzamide (CID 55353239) is N-(2,2,2-trifluoroethyl)-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]benzamide is CC1(C)C2CCC1(C)C(NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)C2.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]benzamide?
The InChIKey is MTDPVQVDMHCKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O3S/c1-17(2)13-8-9-18(17,3)15(10-13)24-28(26,27)14-6-4-12(5-7-14)16(25)23-11-19(20,21)22/h4-7,13,15,24H,8-11H2,1-3H3,(H,23,25).
What are the key properties of N-(2,2,2-trifluoroethyl)-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]benzamide?
N-(2,2,2-trifluoroethyl)-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]benzamide has a molecular weight of 418.48 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]benzamide is sourced from PubChem (CID 55353239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).