trans-(1S,2S)-N-(2-sulfamoylethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C13H15F3N2O3S — CID 96559310

IUPACtrans-(1S,2S)-N-(2-sulfamoylethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESNS(=O)(=O)CCNC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O3S/c14-13(15,16)11-4-2-1-3-8(11)9-7-10(9)12(19)18-5-6-22(17,20)21/h1-4,9-10H,5-7H2,(H,18,19)(H2,17,20,21)/t9-,10+/m1/s1
InChIKeyLVKIACQQHUSHRK-ZJUUUORDSA-N
MW336.34 g/mol
LogP1.21
Rot. Bonds5

About trans-(1S,2S)-N-(2-sulfamoylethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

trans-(1S,2S)-N-(2-sulfamoylethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 96559310) has the molecular formula C13H15F3N2O3S and a molecular weight of 336.34 g/mol. Its IUPAC name is trans-(1S,2S)-N-(2-sulfamoylethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(2-sulfamoylethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID96559310
Molecular FormulaC13H15F3N2O3S
Molecular Weight336.34 g/mol
Exact Mass336.08
IUPAC Nametrans-(1S,2S)-N-(2-sulfamoylethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESNS(=O)(=O)CCNC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O3S/c14-13(15,16)11-4-2-1-3-8(11)9-7-10(9)12(19)18-5-6-22(17,20)21/h1-4,9-10H,5-7H2,(H,18,19)(H2,17,20,21)/t9-,10+/m1/s1
InChIKeyLVKIACQQHUSHRK-ZJUUUORDSA-N
XLogP1.21
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 119176944
4-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid
CID 129415418
N-(2-hydroxypropyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78856114
methyl 6-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]hexanoate
CID 86914458
trans-(1R,2R)-2-(2,5-difluorophenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
CID 95782949
cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 95907598
cis-(1R,2S)-2-[2-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 97185406
N-(2-amino-2-oxoethyl)-4-[[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]benzamide
CID 60516710
N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 102556746
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009995
(2-amino-2-oxoethyl) 2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 71900564
(2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 99849440

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(2-sulfamoylethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-(2-sulfamoylethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 96559310) is trans-(1S,2S)-N-(2-sulfamoylethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-(2-sulfamoylethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-(2-sulfamoylethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is NS(=O)(=O)CCNC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of trans-(1S,2S)-N-(2-sulfamoylethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is LVKIACQQHUSHRK-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H15F3N2O3S/c14-13(15,16)11-4-2-1-3-8(11)9-7-10(9)12(19)18-5-6-22(17,20)21/h1-4,9-10H,5-7H2,(H,18,19)(H2,17,20,21)/t9-,10+/m1/s1.
What are the key properties of trans-(1S,2S)-N-(2-sulfamoylethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
trans-(1S,2S)-N-(2-sulfamoylethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 336.34 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(2-sulfamoylethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 96559310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).