2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid

C10H9ClF3NO4S — CID 3270164

IUPAC2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C10H9ClF3NO4S/c1-5(9(16)17)15-20(18,19)6-2-3-8(11)7(4-6)10(12,13)14/h2-5,15H,1H3,(H,16,17)
InChIKeyQRVAYYUDAPMGRC-UHFFFAOYSA-N
MW331.70 g/mol
LogP2.11
Rot. Bonds4

About 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid

2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid (PubChem CID 3270164) has the molecular formula C10H9ClF3NO4S and a molecular weight of 331.70 g/mol. Its IUPAC name is 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
PubChem CID3270164
Molecular FormulaC10H9ClF3NO4S
Molecular Weight331.70 g/mol
Exact Mass330.99
IUPAC Name2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C10H9ClF3NO4S/c1-5(9(16)17)15-20(18,19)6-2-3-8(11)7(4-6)10(12,13)14/h2-5,15H,1H3,(H,16,17)
InChIKeyQRVAYYUDAPMGRC-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-hydroxypropanoic acid
CID 80755920
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 3464013
4-chloro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 40811378
[2-(2-methylpropylamino)-2-oxoethyl] 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 42899436
4-chloro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 17452020
methyl N-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]carbamate
CID 8501015
N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63733158
4-chloro-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 65113160
(2R)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
CID 2451311
(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid
CID 51715390
(2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid
CID 103862701
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid?
The IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid (CID 3270164) is 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid.
What is the SMILES notation for 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid?
The canonical SMILES for 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid is CC(NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O.
What is the InChIKey of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid?
The InChIKey is QRVAYYUDAPMGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO4S/c1-5(9(16)17)15-20(18,19)6-2-3-8(11)7(4-6)10(12,13)14/h2-5,15H,1H3,(H,16,17).
What are the key properties of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid?
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid has a molecular weight of 331.70 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid is sourced from PubChem (CID 3270164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).