1-[4-(2,2-difluoroethylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid

C12H13F2NO4S — CID 115914290

IUPAC1-[4-(2,2-difluoroethylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(S(=O)(=O)NCC(F)F)cc2)CC1
InChIInChI=1S/C12H13F2NO4S/c13-10(14)7-15-20(18,19)9-3-1-8(2-4-9)12(5-6-12)11(16)17/h1-4,10,15H,5-7H2,(H,16,17)
InChIKeyFJYFMOCAOJLAHY-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.35
Rot. Bonds6

About 1-[4-(2,2-difluoroethylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid

1-[4-(2,2-difluoroethylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 115914290) has the molecular formula C12H13F2NO4S and a molecular weight of 305.30 g/mol. Its IUPAC name is 1-[4-(2,2-difluoroethylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2,2-difluoroethylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID115914290
Molecular FormulaC12H13F2NO4S
Molecular Weight305.30 g/mol
Exact Mass305.05
IUPAC Name1-[4-(2,2-difluoroethylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(S(=O)(=O)NCC(F)F)cc2)CC1
InChIInChI=1S/C12H13F2NO4S/c13-10(14)7-15-20(18,19)9-3-1-8(2-4-9)12(5-6-12)11(16)17/h1-4,10,15H,5-7H2,(H,16,17)
InChIKeyFJYFMOCAOJLAHY-UHFFFAOYSA-N
XLogP1.35
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(ethylsulfamoyl)phenyl]propanoic Acid
CID 2223404
3-[4-(Propan-2-ylsulfamoyl)phenyl]propanoic acid
CID 976717
2-[4-[[2-(Hydroxyamino)-2-oxoethyl]sulfamoyl]phenyl]acetic acid
CID 137653656
2-[4-(Ethylsulfamoyl)phenyl]acetic acid
CID 24267854
2-(4-Sulfamoylphenyl)propanoic acid
CID 67587218
3-{4-[(Isobutylamino)sulfonyl]phenyl}propanoic acid
CID 969637
8-[[(4-Methylphenyl)sulfonyl]amino]octanoic acid
CID 14022127
1-(4-(Chlorosulfonyl)phenyl)cyclopropane-1-carboxylic acid
CID 22504886
7,7-Dimethyl-6-((4-methylphenyl)sulfonamido)octanoic acid
CID 177217721
4-[(2,2,2-Trifluoroethyl)sulfamoyl]benzoic acid
CID 4737406
2-[4-[[1-[[[4-(Trifluoromethyl)phenyl]sulfonylamino]methyl]cyclopentyl]methyl]phenyl]acetic acid
CID 18999595
2-[4-[2-[[4-(Trifluoromethyl)phenyl]sulfonylamino]ethyl]phenyl]acetic acid
CID 19805549

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-difluoroethylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(2,2-difluoroethylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid (CID 115914290) is 1-[4-(2,2-difluoroethylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(2,2-difluoroethylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(2,2-difluoroethylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc(S(=O)(=O)NCC(F)F)cc2)CC1.
What is the InChIKey of 1-[4-(2,2-difluoroethylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is FJYFMOCAOJLAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO4S/c13-10(14)7-15-20(18,19)9-3-1-8(2-4-9)12(5-6-12)11(16)17/h1-4,10,15H,5-7H2,(H,16,17).
What are the key properties of 1-[4-(2,2-difluoroethylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid?
1-[4-(2,2-difluoroethylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 305.30 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoroethylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115914290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).