2-[(2-chlorophenyl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid

C10H9ClF3NO4S — CID 79792043

IUPAC2-[(2-chlorophenyl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NS(=O)(=O)c1ccccc1Cl)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H9ClF3NO4S/c1-9(8(16)17,10(12,13)14)15-20(18,19)7-5-3-2-4-6(7)11/h2-5,15H,1H3,(H,16,17)
InChIKeyFBGWGQYHMIKSAG-UHFFFAOYSA-N
MW331.70 g/mol
LogP2.02
Rot. Bonds4

About 2-[(2-chlorophenyl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[(2-chlorophenyl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79792043) has the molecular formula C10H9ClF3NO4S and a molecular weight of 331.70 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79792043
Molecular FormulaC10H9ClF3NO4S
Molecular Weight331.70 g/mol
Exact Mass330.99
IUPAC Name2-[(2-chlorophenyl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NS(=O)(=O)c1ccccc1Cl)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H9ClF3NO4S/c1-9(8(16)17,10(12,13)14)15-20(18,19)7-5-3-2-4-6(7)11/h2-5,15H,1H3,(H,16,17)
InChIKeyFBGWGQYHMIKSAG-UHFFFAOYSA-N
XLogP2.02
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.70
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromo-4-methylphenyl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79790460
3,3,3-trifluoro-2-methyl-2-(2-phenylethylsulfonylamino)propanoic acid
CID 79790456
tert-butyl N-[(2-chlorophenyl)sulfonylamino]carbamate
CID 8500976
2-anilino-3,3,3-trifluoro-2-methylpropanoic acid
CID 106523306
2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 154576267
2-[(2-chlorophenyl)sulfonylamino]-2-methylbutanethioamide
CID 61123488
2-[(3-chloro-2-fluorobenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 81267773
3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid
CID 45314134
4-[(2-carboxy-1,1,1-trifluoropropan-2-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 167770557
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79988823
3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 4801006
3,3,3-trifluoro-2-methyl-2-(propan-2-ylsulfonylamino)propanoic acid
CID 79792170

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[(2-chlorophenyl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 79792043) is 2-[(2-chlorophenyl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-chlorophenyl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid is CC(NS(=O)(=O)c1ccccc1Cl)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[(2-chlorophenyl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is FBGWGQYHMIKSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO4S/c1-9(8(16)17,10(12,13)14)15-20(18,19)7-5-3-2-4-6(7)11/h2-5,15H,1H3,(H,16,17).
What are the key properties of 2-[(2-chlorophenyl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[(2-chlorophenyl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 331.70 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79792043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).