2-[4-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]sulfamoyl]phenyl]acetic acid

C18H19ClFNO4S — CID 146092760

IUPAC2-[4-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]sulfamoyl]phenyl]acetic acid
SMILESCC(C)(CNS(=O)(=O)c1ccc(CC(=O)O)cc1)c1ccc(F)cc1Cl
InChIInChI=1S/C18H19ClFNO4S/c1-18(2,15-8-5-13(20)10-16(15)19)11-21-26(24,25)14-6-3-12(4-7-14)9-17(22)23/h3-8,10,21H,9,11H2,1-2H3,(H,22,23)
InChIKeyBBXXWFUWCQEAGI-UHFFFAOYSA-N
MW399.87 g/mol
LogP3.36
Rot. Bonds7

About 2-[4-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]sulfamoyl]phenyl]acetic acid

2-[4-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]sulfamoyl]phenyl]acetic acid (PubChem CID 146092760) has the molecular formula C18H19ClFNO4S and a molecular weight of 399.87 g/mol. Its IUPAC name is 2-[4-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]sulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]sulfamoyl]phenyl]acetic acid
PubChem CID146092760
Molecular FormulaC18H19ClFNO4S
Molecular Weight399.87 g/mol
Exact Mass399.07
IUPAC Name2-[4-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]sulfamoyl]phenyl]acetic acid
SMILESCC(C)(CNS(=O)(=O)c1ccc(CC(=O)O)cc1)c1ccc(F)cc1Cl
InChIInChI=1S/C18H19ClFNO4S/c1-18(2,15-8-5-13(20)10-16(15)19)11-21-26(24,25)14-6-3-12(4-7-14)9-17(22)23/h3-8,10,21H,9,11H2,1-2H3,(H,22,23)
InChIKeyBBXXWFUWCQEAGI-UHFFFAOYSA-N
XLogP3.36
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.87
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2-fluoro-2-methylpropyl)sulfamoyl]phenyl]acetic acid
CID 146137544
2-(4-aminophenyl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119786039
2-[4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl]phenyl]acetic acid
CID 106244692
N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide
CID 113084321
N-[4-[2-(2-chloro-4-fluorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118456138
1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-ethyl-2-[(4-methylsulfonylphenyl)methyl]guanidine
CID 111568985
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 71997572
N-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 3835603
N-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 3829600
4-(chloromethyl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 69020554
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-1,3-benzodioxole-5-sulfonamide
CID 113084511

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]sulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]sulfamoyl]phenyl]acetic acid (CID 146092760) is 2-[4-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]sulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]sulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]sulfamoyl]phenyl]acetic acid is CC(C)(CNS(=O)(=O)c1ccc(CC(=O)O)cc1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-[4-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]sulfamoyl]phenyl]acetic acid?
The InChIKey is BBXXWFUWCQEAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO4S/c1-18(2,15-8-5-13(20)10-16(15)19)11-21-26(24,25)14-6-3-12(4-7-14)9-17(22)23/h3-8,10,21H,9,11H2,1-2H3,(H,22,23).
What are the key properties of 2-[4-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]sulfamoyl]phenyl]acetic acid?
2-[4-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]sulfamoyl]phenyl]acetic acid has a molecular weight of 399.87 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]sulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 146092760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).