trans-(1S,2S)-N-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

C17H16FNO4S — CID 95326959

IUPACtrans-(1S,2S)-N-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc([C@H]2C[C@@H]2C(=O)NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO4S/c1-23-13-6-2-11(3-7-13)15-10-16(15)17(20)19-24(21,22)14-8-4-12(18)5-9-14/h2-9,15-16H,10H2,1H3,(H,19,20)/t15-,16+/m1/s1
InChIKeyCLKZBFLRSMITIH-CVEARBPZSA-N
MW349.38 g/mol
LogP2.44
Rot. Bonds5

About trans-(1S,2S)-N-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 95326959) has the molecular formula C17H16FNO4S and a molecular weight of 349.38 g/mol. Its IUPAC name is trans-(1S,2S)-N-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID95326959
Molecular FormulaC17H16FNO4S
Molecular Weight349.38 g/mol
Exact Mass349.08
IUPAC Nametrans-(1S,2S)-N-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc([C@H]2C[C@@H]2C(=O)NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO4S/c1-23-13-6-2-11(3-7-13)15-10-16(15)17(20)19-24(21,22)14-8-4-12(18)5-9-14/h2-9,15-16H,10H2,1H3,(H,19,20)/t15-,16+/m1/s1
InChIKeyCLKZBFLRSMITIH-CVEARBPZSA-N
XLogP2.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-(3-cyanophenyl)-N-(4-methoxyphenyl)sulfonylcyclopropane-1-carboxamide
CID 96824653
N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84564652
(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(4-methoxyphenyl)acetic acid
CID 129469534
2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 110889438
trans-(1R,2R)-N-[(2,5-difluorophenyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 136583904
N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78832186
2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 84569198
(3R,4R)-N-butyl-4-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-3-carboxamide
CID 129428725
cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 32611358
[(E)-1-[2-(4-methoxyphenyl)cyclopropyl]ethylideneamino] 4-fluorobenzoate
CID 6161366
[(Z)-1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]ethylideneamino] 4-fluorobenzoate
CID 42549790
2-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 86955004

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 95326959) is trans-(1S,2S)-N-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc([C@H]2C[C@@H]2C(=O)NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of trans-(1S,2S)-N-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is CLKZBFLRSMITIH-CVEARBPZSA-N. The full InChI is InChI=1S/C17H16FNO4S/c1-23-13-6-2-11(3-7-13)15-10-16(15)17(20)19-24(21,22)14-8-4-12(18)5-9-14/h2-9,15-16H,10H2,1H3,(H,19,20)/t15-,16+/m1/s1.
What are the key properties of trans-(1S,2S)-N-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 349.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95326959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).