(4-methoxycarbonylphenyl)methyl 5-sulfamoylfuran-2-carboxylate

C14H13NO7S — CID 46426101

IUPAC(4-methoxycarbonylphenyl)methyl 5-sulfamoylfuran-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2ccc(S(N)(=O)=O)o2)cc1
InChIInChI=1S/C14H13NO7S/c1-20-13(16)10-4-2-9(3-5-10)8-21-14(17)11-6-7-12(22-11)23(15,18)19/h2-7H,8H2,1H3,(H2,15,18,19)
InChIKeyFASHSFUYCVWPLE-UHFFFAOYSA-N
MW339.33 g/mol
LogP1.07
Rot. Bonds5

About (4-methoxycarbonylphenyl)methyl 5-sulfamoylfuran-2-carboxylate

(4-methoxycarbonylphenyl)methyl 5-sulfamoylfuran-2-carboxylate (PubChem CID 46426101) has the molecular formula C14H13NO7S and a molecular weight of 339.33 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl)methyl 5-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl)methyl 5-sulfamoylfuran-2-carboxylate
PubChem CID46426101
Molecular FormulaC14H13NO7S
Molecular Weight339.33 g/mol
Exact Mass339.04
IUPAC Name(4-methoxycarbonylphenyl)methyl 5-sulfamoylfuran-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2ccc(S(N)(=O)=O)o2)cc1
InChIInChI=1S/C14H13NO7S/c1-20-13(16)10-4-2-9(3-5-10)8-21-14(17)11-6-7-12(22-11)23(15,18)19/h2-7H,8H2,1H3,(H2,15,18,19)
InChIKeyFASHSFUYCVWPLE-UHFFFAOYSA-N
XLogP1.07
TPSA125.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-sulfamoylfuran-2-carboxylate
CID 3146896
(4-methoxycarbonylphenyl)methyl 5-(4-acetylphenyl)furan-2-carboxylate
CID 7728035
methyl 4-(carbonochloridoyloxymethyl)benzoate
CID 54328192
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643755
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
phenacyl 5-sulfamoylfuran-2-carboxylate
CID 46426116
[2-(4-methoxyanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55644085
[2-(4-acetamidoanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643941
[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643701
[2-(2-acetylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643937
methyl 4-[(chloroamino)oxymethyl]benzoate
CID 88567653
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 5-sulfamoylfuran-2-carboxylate
CID 55643888

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl)methyl 5-sulfamoylfuran-2-carboxylate?
The IUPAC name of (4-methoxycarbonylphenyl)methyl 5-sulfamoylfuran-2-carboxylate (CID 46426101) is (4-methoxycarbonylphenyl)methyl 5-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for (4-methoxycarbonylphenyl)methyl 5-sulfamoylfuran-2-carboxylate?
The canonical SMILES for (4-methoxycarbonylphenyl)methyl 5-sulfamoylfuran-2-carboxylate is COC(=O)c1ccc(COC(=O)c2ccc(S(N)(=O)=O)o2)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl)methyl 5-sulfamoylfuran-2-carboxylate?
The InChIKey is FASHSFUYCVWPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO7S/c1-20-13(16)10-4-2-9(3-5-10)8-21-14(17)11-6-7-12(22-11)23(15,18)19/h2-7H,8H2,1H3,(H2,15,18,19).
What are the key properties of (4-methoxycarbonylphenyl)methyl 5-sulfamoylfuran-2-carboxylate?
(4-methoxycarbonylphenyl)methyl 5-sulfamoylfuran-2-carboxylate has a molecular weight of 339.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl)methyl 5-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 46426101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).