2-[[3-[[1-(difluoromethyl)cyclobutanecarbonyl]amino]phenyl]sulfonylamino]acetic acid

C14H16F2N2O5S — CID 167864572

IUPAC2-[[3-[[1-(difluoromethyl)cyclobutanecarbonyl]amino]phenyl]sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1cccc(NC(=O)C2(C(F)F)CCC2)c1
InChIInChI=1S/C14H16F2N2O5S/c15-12(16)14(5-2-6-14)13(21)18-9-3-1-4-10(7-9)24(22,23)17-8-11(19)20/h1,3-4,7,12,17H,2,5-6,8H2,(H,18,21)(H,19,20)
InChIKeyBKAVYGWRFAUHIE-UHFFFAOYSA-N
MW362.35 g/mol
LogP1.42
Rot. Bonds7

About 2-[[3-[[1-(difluoromethyl)cyclobutanecarbonyl]amino]phenyl]sulfonylamino]acetic acid

2-[[3-[[1-(difluoromethyl)cyclobutanecarbonyl]amino]phenyl]sulfonylamino]acetic acid (PubChem CID 167864572) has the molecular formula C14H16F2N2O5S and a molecular weight of 362.35 g/mol. Its IUPAC name is 2-[[3-[[1-(difluoromethyl)cyclobutanecarbonyl]amino]phenyl]sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[[1-(difluoromethyl)cyclobutanecarbonyl]amino]phenyl]sulfonylamino]acetic acid
PubChem CID167864572
Molecular FormulaC14H16F2N2O5S
Molecular Weight362.35 g/mol
Exact Mass362.07
IUPAC Name2-[[3-[[1-(difluoromethyl)cyclobutanecarbonyl]amino]phenyl]sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1cccc(NC(=O)C2(C(F)F)CCC2)c1
InChIInChI=1S/C14H16F2N2O5S/c15-12(16)14(5-2-6-14)13(21)18-9-3-1-4-10(7-9)24(22,23)17-8-11(19)20/h1,3-4,7,12,17H,2,5-6,8H2,(H,18,21)(H,19,20)
InChIKeyBKAVYGWRFAUHIE-UHFFFAOYSA-N
XLogP1.42
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[(5-methylfuran-2-carbonyl)amino]phenyl]sulfonylamino]acetic acid
CID 138042642
2-[[3-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)phenyl]sulfonylamino]acetic acid
CID 136554253
1-amino-N-[3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119283953
2-[(3-cyanophenyl)sulfonylamino]acetic acid
CID 3796207
1-amino-N-[3-(butan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119341523
2-(benzenesulfonamido)-N-(3-fluorophenyl)acetamide
CID 891841
1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid
CID 113311051
2-[(6-acetamidonaphthalen-2-yl)sulfonylamino]acetic acid
CID 14457729
2-[1-[[(3-chlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81163930
1-amino-N-[3-(methylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119293957
3-methyl-N-[3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 63130562
1-[[2-(benzenesulfonamido)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81163965

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[1-(difluoromethyl)cyclobutanecarbonyl]amino]phenyl]sulfonylamino]acetic acid?
The IUPAC name of 2-[[3-[[1-(difluoromethyl)cyclobutanecarbonyl]amino]phenyl]sulfonylamino]acetic acid (CID 167864572) is 2-[[3-[[1-(difluoromethyl)cyclobutanecarbonyl]amino]phenyl]sulfonylamino]acetic acid.
What is the SMILES notation for 2-[[3-[[1-(difluoromethyl)cyclobutanecarbonyl]amino]phenyl]sulfonylamino]acetic acid?
The canonical SMILES for 2-[[3-[[1-(difluoromethyl)cyclobutanecarbonyl]amino]phenyl]sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)c1cccc(NC(=O)C2(C(F)F)CCC2)c1.
What is the InChIKey of 2-[[3-[[1-(difluoromethyl)cyclobutanecarbonyl]amino]phenyl]sulfonylamino]acetic acid?
The InChIKey is BKAVYGWRFAUHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O5S/c15-12(16)14(5-2-6-14)13(21)18-9-3-1-4-10(7-9)24(22,23)17-8-11(19)20/h1,3-4,7,12,17H,2,5-6,8H2,(H,18,21)(H,19,20).
What are the key properties of 2-[[3-[[1-(difluoromethyl)cyclobutanecarbonyl]amino]phenyl]sulfonylamino]acetic acid?
2-[[3-[[1-(difluoromethyl)cyclobutanecarbonyl]amino]phenyl]sulfonylamino]acetic acid has a molecular weight of 362.35 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[1-(difluoromethyl)cyclobutanecarbonyl]amino]phenyl]sulfonylamino]acetic acid is sourced from PubChem (CID 167864572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).