2,5-dimethyl-4-sulfamoylfuran-3-carboxylic acid

C7H9NO5S — CID 39870159

IUPAC2,5-dimethyl-4-sulfamoylfuran-3-carboxylic acid
SMILESCc1oc(C)c(S(N)(=O)=O)c1C(=O)O
InChIInChI=1S/C7H9NO5S/c1-3-5(7(9)10)6(4(2)13-3)14(8,11)12/h1-2H3,(H,9,10)(H2,8,11,12)
InChIKeyYPWRJNLSEWKOGW-UHFFFAOYSA-N
MW219.22 g/mol
LogP0.24
Rot. Bonds2

About 2,5-dimethyl-4-sulfamoylfuran-3-carboxylic acid

2,5-dimethyl-4-sulfamoylfuran-3-carboxylic acid (PubChem CID 39870159) has the molecular formula C7H9NO5S and a molecular weight of 219.22 g/mol. Its IUPAC name is 2,5-dimethyl-4-sulfamoylfuran-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-4-sulfamoylfuran-3-carboxylic acid
PubChem CID39870159
Molecular FormulaC7H9NO5S
Molecular Weight219.22 g/mol
Exact Mass219.02
IUPAC Name2,5-dimethyl-4-sulfamoylfuran-3-carboxylic acid
SMILESCc1oc(C)c(S(N)(=O)=O)c1C(=O)O
InChIInChI=1S/C7H9NO5S/c1-3-5(7(9)10)6(4(2)13-3)14(8,11)12/h1-2H3,(H,9,10)(H2,8,11,12)
InChIKeyYPWRJNLSEWKOGW-UHFFFAOYSA-N
XLogP0.24
TPSA110.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-sulfamoylfuran-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-4-sulfamoylfuran-3-carboxylic acid (CID 39870159) is 2,5-dimethyl-4-sulfamoylfuran-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-4-sulfamoylfuran-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-4-sulfamoylfuran-3-carboxylic acid is Cc1oc(C)c(S(N)(=O)=O)c1C(=O)O.
What is the InChIKey of 2,5-dimethyl-4-sulfamoylfuran-3-carboxylic acid?
The InChIKey is YPWRJNLSEWKOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO5S/c1-3-5(7(9)10)6(4(2)13-3)14(8,11)12/h1-2H3,(H,9,10)(H2,8,11,12).
What are the key properties of 2,5-dimethyl-4-sulfamoylfuran-3-carboxylic acid?
2,5-dimethyl-4-sulfamoylfuran-3-carboxylic acid has a molecular weight of 219.22 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-sulfamoylfuran-3-carboxylic acid is sourced from PubChem (CID 39870159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).