cis-(1S,2R)-N-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C14H16F3NO3S — CID 96523459

IUPACcis-(1S,2R)-N-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO3S/c1-8(2)22(20,21)18-13(19)12-7-11(12)9-4-3-5-10(6-9)14(15,16)17/h3-6,8,11-12H,7H2,1-2H3,(H,18,19)/t11-,12-/m0/s1
InChIKeyOTTTYQIVHYBWNL-RYUDHWBXSA-N
MW335.35 g/mol
LogP2.66
Rot. Bonds4

About cis-(1S,2R)-N-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

cis-(1S,2R)-N-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 96523459) has the molecular formula C14H16F3NO3S and a molecular weight of 335.35 g/mol. Its IUPAC name is cis-(1S,2R)-N-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID96523459
Molecular FormulaC14H16F3NO3S
Molecular Weight335.35 g/mol
Exact Mass335.08
IUPAC Namecis-(1S,2R)-N-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO3S/c1-8(2)22(20,21)18-13(19)12-7-11(12)9-4-3-5-10(6-9)14(15,16)17/h3-6,8,11-12H,7H2,1-2H3,(H,18,19)/t11-,12-/m0/s1
InChIKeyOTTTYQIVHYBWNL-RYUDHWBXSA-N
XLogP2.66
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid
CID 119360146
N-(3-aminobutyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119497155
N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 120650795
trans-ethyl (1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 90226075
ethyl 2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 57429659
3-phenyl-3-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 119129363
trans-(1S,2S)-2-[3-(trifluoromethyl)phenyl]-N-(2,4,5-trimethylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 95620243
trans-(1R,2R)-N-[(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96515120
N-[3-(hydroxymethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 111116064
methyl 2-thiophen-2-yl-2-[[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetate
CID 154877020
N-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119566596
N-(2-amino-5-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119421188

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 96523459) is cis-(1S,2R)-N-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is CC(C)S(=O)(=O)NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1.
What is the InChIKey of cis-(1S,2R)-N-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is OTTTYQIVHYBWNL-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H16F3NO3S/c1-8(2)22(20,21)18-13(19)12-7-11(12)9-4-3-5-10(6-9)14(15,16)17/h3-6,8,11-12H,7H2,1-2H3,(H,18,19)/t11-,12-/m0/s1.
What are the key properties of cis-(1S,2R)-N-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-N-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 335.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 96523459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).