2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid

C10H10ClF2NO5S — CID 43351470

IUPAC2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C10H10ClF2NO5S/c1-14(5-9(15)16)20(17,18)6-2-3-8(7(11)4-6)19-10(12)13/h2-4,10H,5H2,1H3,(H,15,16)
InChIKeyGMRCGPNLLJQZIF-UHFFFAOYSA-N
MW329.71 g/mol
LogP1.65
Rot. Bonds6

About 2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid

2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid (PubChem CID 43351470) has the molecular formula C10H10ClF2NO5S and a molecular weight of 329.71 g/mol. Its IUPAC name is 2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid
PubChem CID43351470
Molecular FormulaC10H10ClF2NO5S
Molecular Weight329.71 g/mol
Exact Mass328.99
IUPAC Name2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C10H10ClF2NO5S/c1-14(5-9(15)16)20(17,18)6-2-3-8(7(11)4-6)19-10(12)13/h2-4,10H,5H2,1H3,(H,15,16)
InChIKeyGMRCGPNLLJQZIF-UHFFFAOYSA-N
XLogP1.65
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.71
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetamide
CID 37499853
2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid
CID 122101473
N-(3-aminopropyl)-3-chloro-4-(difluoromethoxy)-N-methylbenzenesulfonamide
CID 115319094
3-chloro-4-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
CID 115776409
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 26835965
N-(azetidin-3-yl)-3-chloro-4-(difluoromethoxy)-N-ethylbenzenesulfonamide
CID 66181484
N-(4-acetamidophenyl)-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-ethylamino]acetamide
CID 37496456
3-chloro-4-(difluoromethoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 55681643
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 37498559
(2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104936024
N-benzhydryl-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45372774
3-chloro-4-(difluoromethoxy)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993709

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid?
The IUPAC name of 2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid (CID 43351470) is 2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid?
The canonical SMILES for 2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid is CN(CC(=O)O)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid?
The InChIKey is GMRCGPNLLJQZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO5S/c1-14(5-9(15)16)20(17,18)6-2-3-8(7(11)4-6)19-10(12)13/h2-4,10H,5H2,1H3,(H,15,16).
What are the key properties of 2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid?
2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid has a molecular weight of 329.71 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid is sourced from PubChem (CID 43351470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).