trans-(1R,2R)-2-(2,5-difluorophenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide

C12H14F2N2O3S — CID 95782949

IUPACtrans-(1R,2R)-2-(2,5-difluorophenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
SMILESNS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F
InChIInChI=1S/C12H14F2N2O3S/c13-7-1-2-11(14)9(5-7)8-6-10(8)12(17)16-3-4-20(15,18)19/h1-2,5,8,10H,3-4,6H2,(H,16,17)(H2,15,18,19)/t8-,10+/m0/s1
InChIKeyGAAARQCKGILZDT-WCBMZHEXSA-N
MW304.32 g/mol
LogP0.47
Rot. Bonds5

About trans-(1R,2R)-2-(2,5-difluorophenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-(2,5-difluorophenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide (PubChem CID 95782949) has the molecular formula C12H14F2N2O3S and a molecular weight of 304.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2,5-difluorophenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2,5-difluorophenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
PubChem CID95782949
Molecular FormulaC12H14F2N2O3S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC Nametrans-(1R,2R)-2-(2,5-difluorophenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
SMILESNS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F
InChIInChI=1S/C12H14F2N2O3S/c13-7-1-2-11(14)9(5-7)8-6-10(8)12(17)16-3-4-20(15,18)19/h1-2,5,8,10H,3-4,6H2,(H,16,17)(H2,15,18,19)/t8-,10+/m0/s1
InChIKeyGAAARQCKGILZDT-WCBMZHEXSA-N
XLogP0.47
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119177424
3-[[(1S,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704684
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 129348570
cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 97076783
trans-(1S,2S)-N-(2-sulfamoylethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96559310
2-(2,5-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclopropane-1-carboxamide
CID 111539652
2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 120947077
2-(2,5-difluorophenyl)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopropane-1-carboxamide
CID 75494414
cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888162
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888164
cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[3-(methanesulfonamido)propyl]cyclopropane-1-carboxamide
CID 96533325
4-[[[(1R,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide
CID 95776553

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2,5-difluorophenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(2,5-difluorophenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide (CID 95782949) is trans-(1R,2R)-2-(2,5-difluorophenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(2,5-difluorophenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(2,5-difluorophenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide is NS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F.
What is the InChIKey of trans-(1R,2R)-2-(2,5-difluorophenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide?
The InChIKey is GAAARQCKGILZDT-WCBMZHEXSA-N. The full InChI is InChI=1S/C12H14F2N2O3S/c13-7-1-2-11(14)9(5-7)8-6-10(8)12(17)16-3-4-20(15,18)19/h1-2,5,8,10H,3-4,6H2,(H,16,17)(H2,15,18,19)/t8-,10+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(2,5-difluorophenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(2,5-difluorophenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2,5-difluorophenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95782949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).