2-[cyclopentyl-(3,4-difluorophenyl)sulfonylamino]acetic acid

C13H15F2NO4S — CID 60828784

IUPAC2-[cyclopentyl-(3,4-difluorophenyl)sulfonylamino]acetic acid
SMILESO=C(O)CN(C1CCCC1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2NO4S/c14-11-6-5-10(7-12(11)15)21(19,20)16(8-13(17)18)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,17,18)
InChIKeyLMUMVDSTALKFNL-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.98
Rot. Bonds5

About 2-[cyclopentyl-(3,4-difluorophenyl)sulfonylamino]acetic acid

2-[cyclopentyl-(3,4-difluorophenyl)sulfonylamino]acetic acid (PubChem CID 60828784) has the molecular formula C13H15F2NO4S and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-[cyclopentyl-(3,4-difluorophenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(3,4-difluorophenyl)sulfonylamino]acetic acid
PubChem CID60828784
Molecular FormulaC13H15F2NO4S
Molecular Weight319.33 g/mol
Exact Mass319.07
IUPAC Name2-[cyclopentyl-(3,4-difluorophenyl)sulfonylamino]acetic acid
SMILESO=C(O)CN(C1CCCC1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2NO4S/c14-11-6-5-10(7-12(11)15)21(19,20)16(8-13(17)18)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,17,18)
InChIKeyLMUMVDSTALKFNL-UHFFFAOYSA-N
XLogP1.98
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-2-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid
CID 60829623
N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide
CID 102874362
2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid
CID 54946257
N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide
CID 61350715
2-[cyclopropyl(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)amino]acetic acid
CID 60829160
N-cyclopentyl-3,4-difluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 87032912
2-[(2-chloro-4-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid
CID 60829976
3-amino-N-cyclopentyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140188
2-[cyclobutyl-(2-fluoro-6-methylphenyl)sulfonylamino]acetic acid
CID 136550997
2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid
CID 54945752
2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid
CID 60829007
N-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide
CID 79113666

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(3,4-difluorophenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(3,4-difluorophenyl)sulfonylamino]acetic acid (CID 60828784) is 2-[cyclopentyl-(3,4-difluorophenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(3,4-difluorophenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(3,4-difluorophenyl)sulfonylamino]acetic acid is O=C(O)CN(C1CCCC1)S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[cyclopentyl-(3,4-difluorophenyl)sulfonylamino]acetic acid?
The InChIKey is LMUMVDSTALKFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO4S/c14-11-6-5-10(7-12(11)15)21(19,20)16(8-13(17)18)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,17,18).
What are the key properties of 2-[cyclopentyl-(3,4-difluorophenyl)sulfonylamino]acetic acid?
2-[cyclopentyl-(3,4-difluorophenyl)sulfonylamino]acetic acid has a molecular weight of 319.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(3,4-difluorophenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 60828784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).