cis-(1R,2R)-2-[[(2,4,5-trifluorophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid

C11H10F3NO4S — CID 166298336

IUPACcis-(1R,2R)-2-[[(2,4,5-trifluorophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1CNS(=O)(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C11H10F3NO4S/c12-7-2-9(14)10(3-8(7)13)20(18,19)15-4-5-1-6(5)11(16)17/h2-3,5-6,15H,1,4H2,(H,16,17)/t5-,6+/m0/s1
InChIKeyRKTATEFIFBFFTE-NTSWFWBYSA-N
MW309.27 g/mol
LogP1.10
Rot. Bonds5

About cis-(1R,2R)-2-[[(2,4,5-trifluorophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid

cis-(1R,2R)-2-[[(2,4,5-trifluorophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 166298336) has the molecular formula C11H10F3NO4S and a molecular weight of 309.27 g/mol. Its IUPAC name is cis-(1R,2R)-2-[[(2,4,5-trifluorophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2R)-2-[[(2,4,5-trifluorophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID166298336
Molecular FormulaC11H10F3NO4S
Molecular Weight309.27 g/mol
Exact Mass309.03
IUPAC Namecis-(1R,2R)-2-[[(2,4,5-trifluorophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1CNS(=O)(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C11H10F3NO4S/c12-7-2-9(14)10(3-8(7)13)20(18,19)15-4-5-1-6(5)11(16)17/h2-3,5-6,15H,1,4H2,(H,16,17)/t5-,6+/m0/s1
InChIKeyRKTATEFIFBFFTE-NTSWFWBYSA-N
XLogP1.10
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[3-fluoro-4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]prop-2-enoic acid
CID 116529925
trans-(1R,2R)-2-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid
CID 99993220
2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide
CID 97244861
2-[2-(3,4-difluorophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83936253
2-[(3-fluoro-4-methoxyanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221253
2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 113463613
(2R,3R)-2-methyl-1-(2,4,5-trifluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 122105323
3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 107343819
trans-(1S,2R)-2-[[(5-chloro-2-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 108781400
5-amino-2,4-difluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107294857
N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 35324081
2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825556

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[[(2,4,5-trifluorophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2R)-2-[[(2,4,5-trifluorophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid (CID 166298336) is cis-(1R,2R)-2-[[(2,4,5-trifluorophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2R)-2-[[(2,4,5-trifluorophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2R)-2-[[(2,4,5-trifluorophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1CNS(=O)(=O)c1cc(F)c(F)cc1F.
What is the InChIKey of cis-(1R,2R)-2-[[(2,4,5-trifluorophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is RKTATEFIFBFFTE-NTSWFWBYSA-N. The full InChI is InChI=1S/C11H10F3NO4S/c12-7-2-9(14)10(3-8(7)13)20(18,19)15-4-5-1-6(5)11(16)17/h2-3,5-6,15H,1,4H2,(H,16,17)/t5-,6+/m0/s1.
What are the key properties of cis-(1R,2R)-2-[[(2,4,5-trifluorophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid?
cis-(1R,2R)-2-[[(2,4,5-trifluorophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 309.27 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[[(2,4,5-trifluorophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 166298336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).