4-[[(2-methylcyclopropyl)-phenylmethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C20H21F3N2O3S — CID 86959941

IUPAC4-[[(2-methylcyclopropyl)-phenylmethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC1CC1C(NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C20H21F3N2O3S/c1-13-11-17(13)18(14-5-3-2-4-6-14)25-29(27,28)16-9-7-15(8-10-16)19(26)24-12-20(21,22)23/h2-10,13,17-18,25H,11-12H2,1H3,(H,24,26)
InChIKeyMPJYXACKVPSPOV-UHFFFAOYSA-N
MW426.46 g/mol
LogP3.65
Rot. Bonds7

About 4-[[(2-methylcyclopropyl)-phenylmethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[[(2-methylcyclopropyl)-phenylmethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 86959941) has the molecular formula C20H21F3N2O3S and a molecular weight of 426.46 g/mol. Its IUPAC name is 4-[[(2-methylcyclopropyl)-phenylmethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[[(2-methylcyclopropyl)-phenylmethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID86959941
Molecular FormulaC20H21F3N2O3S
Molecular Weight426.46 g/mol
Exact Mass426.12
IUPAC Name4-[[(2-methylcyclopropyl)-phenylmethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC1CC1C(NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C20H21F3N2O3S/c1-13-11-17(13)18(14-5-3-2-4-6-14)25-29(27,28)16-9-7-15(8-10-16)19(26)24-12-20(21,22)23/h2-10,13,17-18,25H,11-12H2,1H3,(H,24,26)
InChIKeyMPJYXACKVPSPOV-UHFFFAOYSA-N
XLogP3.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-(2-methylcyclopropyl)-phenylmethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164861832
4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8817212
4-[[2-(dimethylamino)-2-phenylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 78786572
4-[(2-methoxy-2-phenylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 78877934
4-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzenesulfonamide
CID 86959942
4-(difluoromethylsulfonyl)-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956089
4-[[(1R)-1-(furan-2-yl)ethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8817710
4-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8817707
2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55492050
4-[(2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064232
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

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methylcyclopropyl)-phenylmethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[[(2-methylcyclopropyl)-phenylmethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 86959941) is 4-[[(2-methylcyclopropyl)-phenylmethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[[(2-methylcyclopropyl)-phenylmethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[[(2-methylcyclopropyl)-phenylmethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is CC1CC1C(NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 4-[[(2-methylcyclopropyl)-phenylmethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is MPJYXACKVPSPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3S/c1-13-11-17(13)18(14-5-3-2-4-6-14)25-29(27,28)16-9-7-15(8-10-16)19(26)24-12-20(21,22)23/h2-10,13,17-18,25H,11-12H2,1H3,(H,24,26).
What are the key properties of 4-[[(2-methylcyclopropyl)-phenylmethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[[(2-methylcyclopropyl)-phenylmethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 426.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methylcyclopropyl)-phenylmethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 86959941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).