methyl 2,4-difluoro-5-(sulfamoylamino)benzoate

C8H8F2N2O4S — CID 112573353

IUPACmethyl 2,4-difluoro-5-(sulfamoylamino)benzoate
SMILESCOC(=O)c1cc(NS(N)(=O)=O)c(F)cc1F
InChIInChI=1S/C8H8F2N2O4S/c1-16-8(13)4-2-7(12-17(11,14)15)6(10)3-5(4)9/h2-3,12H,1H3,(H2,11,14,15)
InChIKeySEKIFNGULNNXDR-UHFFFAOYSA-N
MW266.23 g/mol
LogP0.37
Rot. Bonds3

About methyl 2,4-difluoro-5-(sulfamoylamino)benzoate

methyl 2,4-difluoro-5-(sulfamoylamino)benzoate (PubChem CID 112573353) has the molecular formula C8H8F2N2O4S and a molecular weight of 266.23 g/mol. Its IUPAC name is methyl 2,4-difluoro-5-(sulfamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 2,4-difluoro-5-(sulfamoylamino)benzoate
PubChem CID112573353
Molecular FormulaC8H8F2N2O4S
Molecular Weight266.23 g/mol
Exact Mass266.02
IUPAC Namemethyl 2,4-difluoro-5-(sulfamoylamino)benzoate
SMILESCOC(=O)c1cc(NS(N)(=O)=O)c(F)cc1F
InChIInChI=1S/C8H8F2N2O4S/c1-16-8(13)4-2-7(12-17(11,14)15)6(10)3-5(4)9/h2-3,12H,1H3,(H2,11,14,15)
InChIKeySEKIFNGULNNXDR-UHFFFAOYSA-N
XLogP0.37
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-5-(sulfamoylamino)benzamide
CID 112573250
methyl 5-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoylamino]-2,4-difluorobenzoate
CID 139215222
methyl 5-(3-chloropropylsulfonylamino)-2,4-difluorobenzoate
CID 43654285
methyl 5-[(2,4-difluorophenyl)sulfonylamino]-2,4-difluorobenzoate
CID 31808073
methyl 2,4-difluoro-5-(propan-2-ylamino)benzoate
CID 43731464
methyl 5-chloro-2-(sulfamoylamino)benzoate
CID 112573330
methyl 4-chloro-2-(sulfamoylamino)benzoate
CID 112573367
methyl 5-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,4-difluorobenzoate
CID 31808270
methyl 2,4-difluoro-5-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoate
CID 31808177
methyl 5-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2,4-difluorobenzoate
CID 31808235
methyl 5-[(3-chloro-2-methylphenyl)sulfonylamino]-2,4-difluorobenzoate
CID 87026690
methyl 5-[(3-aminocyclopentyl)amino]-2,4-difluorobenzoate
CID 79461119

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-difluoro-5-(sulfamoylamino)benzoate?
The IUPAC name of methyl 2,4-difluoro-5-(sulfamoylamino)benzoate (CID 112573353) is methyl 2,4-difluoro-5-(sulfamoylamino)benzoate.
What is the SMILES notation for methyl 2,4-difluoro-5-(sulfamoylamino)benzoate?
The canonical SMILES for methyl 2,4-difluoro-5-(sulfamoylamino)benzoate is COC(=O)c1cc(NS(N)(=O)=O)c(F)cc1F.
What is the InChIKey of methyl 2,4-difluoro-5-(sulfamoylamino)benzoate?
The InChIKey is SEKIFNGULNNXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O4S/c1-16-8(13)4-2-7(12-17(11,14)15)6(10)3-5(4)9/h2-3,12H,1H3,(H2,11,14,15).
What are the key properties of methyl 2,4-difluoro-5-(sulfamoylamino)benzoate?
methyl 2,4-difluoro-5-(sulfamoylamino)benzoate has a molecular weight of 266.23 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-difluoro-5-(sulfamoylamino)benzoate is sourced from PubChem (CID 112573353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).