cis-(1R,2S)-2-(2-fluorophenyl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide

C18H19FN2O3S — CID 97021078

IUPACcis-(1R,2S)-2-(2-fluorophenyl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1F)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C18H19FN2O3S/c1-11(12-5-4-6-13(9-12)25(20,23)24)21-18(22)16-10-15(16)14-7-2-3-8-17(14)19/h2-9,11,15-16H,10H2,1H3,(H,21,22)(H2,20,23,24)/t11-,15+,16+/m0/s1
InChIKeyNANUFXBSXDYJDV-IUIKQTSFSA-N
MW362.43 g/mol
LogP2.45
Rot. Bonds5

About cis-(1R,2S)-2-(2-fluorophenyl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-(2-fluorophenyl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 97021078) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is cis-(1R,2S)-2-(2-fluorophenyl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(2-fluorophenyl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID97021078
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Namecis-(1R,2S)-2-(2-fluorophenyl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1F)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C18H19FN2O3S/c1-11(12-5-4-6-13(9-12)25(20,23)24)21-18(22)16-10-15(16)14-7-2-3-8-17(14)19/h2-9,11,15-16H,10H2,1H3,(H,21,22)(H2,20,23,24)/t11-,15+,16+/m0/s1
InChIKeyNANUFXBSXDYJDV-IUIKQTSFSA-N
XLogP2.45
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 103839225
N-[1-(3-sulfamoylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79593537
3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide
CID 43773070
2-(2-chlorophenyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 51291710
3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119219050
propan-2-yl 3-[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoate
CID 134009754
3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119218893
2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213570
trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]cyclopropane-1-carboxamide
CID 124840506
(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]oxolane-3-carboxamide
CID 129325296
3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 81351259
cis-(1S,2R)-N-ethoxy-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 52544721

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(2-fluorophenyl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(2-fluorophenyl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide (CID 97021078) is cis-(1R,2S)-2-(2-fluorophenyl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(2-fluorophenyl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(2-fluorophenyl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide is C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1F)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of cis-(1R,2S)-2-(2-fluorophenyl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is NANUFXBSXDYJDV-IUIKQTSFSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-11(12-5-4-6-13(9-12)25(20,23)24)21-18(22)16-10-15(16)14-7-2-3-8-17(14)19/h2-9,11,15-16H,10H2,1H3,(H,21,22)(H2,20,23,24)/t11-,15+,16+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(2-fluorophenyl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(2-fluorophenyl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(2-fluorophenyl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 97021078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).