2-[(4-chloro-2-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid

C13H15ClFNO4S — CID 60829623

IUPAC2-[(4-chloro-2-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid
SMILESO=C(O)CN(C1CCCC1)S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H15ClFNO4S/c14-9-5-6-12(11(15)7-9)21(19,20)16(8-13(17)18)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,17,18)
InChIKeyGRMXSWYYCDDCQN-UHFFFAOYSA-N
MW335.78 g/mol
LogP2.50
Rot. Bonds5

About 2-[(4-chloro-2-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid

2-[(4-chloro-2-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid (PubChem CID 60829623) has the molecular formula C13H15ClFNO4S and a molecular weight of 335.78 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid
PubChem CID60829623
Molecular FormulaC13H15ClFNO4S
Molecular Weight335.78 g/mol
Exact Mass335.04
IUPAC Name2-[(4-chloro-2-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid
SMILESO=C(O)CN(C1CCCC1)S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H15ClFNO4S/c14-9-5-6-12(11(15)7-9)21(19,20)16(8-13(17)18)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,17,18)
InChIKeyGRMXSWYYCDDCQN-UHFFFAOYSA-N
XLogP2.50
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.78
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-4-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid
CID 60829976
2-[cyclopentyl-(3,4-difluorophenyl)sulfonylamino]acetic acid
CID 60828784
2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid
CID 54945752
2-[cyclopropyl-(2,4-dichloro-3-fluorophenyl)sulfonylamino]acetic acid
CID 103087535
2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid
CID 60828632
2-[(2-amino-5-chlorophenyl)sulfonyl-cyclopentylamino]acetamide
CID 61108815
2-[tert-butyl-(4-chloro-2-fluorophenyl)sulfonylamino]acetic acid
CID 79268453
2-[(4-chloro-2-fluorophenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265480
4-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzenesulfonamide
CID 63636247
2-[cyclobutyl-(2-fluoro-6-methylphenyl)sulfonylamino]acetic acid
CID 136550997
4-bromo-N-cyclopentyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 116528239
2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid
CID 54946257

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid (CID 60829623) is 2-[(4-chloro-2-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid is O=C(O)CN(C1CCCC1)S(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid?
The InChIKey is GRMXSWYYCDDCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO4S/c14-9-5-6-12(11(15)7-9)21(19,20)16(8-13(17)18)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,17,18).
What are the key properties of 2-[(4-chloro-2-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid?
2-[(4-chloro-2-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid has a molecular weight of 335.78 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid is sourced from PubChem (CID 60829623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).