Sodium furosemide

C12H10ClN2NaO5S — CID 23673593

IUPACsodium 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
SMILESC1=COC(=C1)CNC2=CC(=C(C=C2C(=O)[O-])S(=O)(=O)N)Cl.[Na+]
InChIInChI=1S/C12H11ClN2O5S.Na/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19;/h1-5,15H,6H2,(H,16,17)(H2,14,18,19);/q;+1/p-1
InChIKeyDLFCAVBMDSKMEY-UHFFFAOYSA-M
MW352.73 g/mol
LogP—
Rot. Bonds5

About Sodium furosemide

Sodium furosemide (PubChem CID 23673593) has the molecular formula C12H10ClN2NaO5S and a molecular weight of 352.73 g/mol. Its IUPAC name is sodium 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate.

Molecular Properties

Compound NameSodium furosemide
PubChem CID23673593
Molecular FormulaC12H10ClN2NaO5S
Molecular Weight352.73 g/mol
Exact Mass351.99
IUPAC Namesodium 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
SMILESC1=COC(=C1)CNC2=CC(=C(C=C2C(=O)[O-])S(=O)(=O)N)Cl.[Na+]
InChIInChI=1S/C12H11ClN2O5S.Na/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19;/h1-5,15H,6H2,(H,16,17)(H2,14,18,19);/q;+1/p-1
InChIKeyDLFCAVBMDSKMEY-UHFFFAOYSA-M
XLogP—
TPSA134.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity486

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Furosemide
CID 3440
4-Chloro-2-[(furan-2-ylmethyl)ammonio]-5-sulfamoylbenzoate
CID 118985385
beta-D-Glucopyranuronic acid, 1-(5-(aminosulfonyl)-4-chloro-2-((2-furanylmethyl)amino)benzoate)
CID 21123459
4-Chloro-2-[(2-furanylmethyl)amino]-5-[(methylamino)sulfonyl]benzoic acid
CID 46853798
4-chloro-2-(furan-2-ylmethylamino)-N-methyl-5-(methylsulfamoyl)benzamide
CID 155451989
4-chloro-N-furfuryl-5-(N-benzyl-N-methylsulfamoyl) anthranilic acid
CID 155452007
4-chloro-2-(furan-2-ylmethylamino)-N,N-dimethyl-5-(methylsulfamoyl)benzamide
CID 155452035
4-Chloro-2-(furan-2-ylmethylamino)-5-(methylsulfamoyl)benzamide
CID 155452036
4-Chloro-2-(furan-2-ylmethylamino)benzoic acid
CID 556937
Methyl 4-chloro-2-(furan-2-ylmethylamino)-5-(methylsulfamoyl)benzoate
CID 46853797
4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 4739262
Sulfanilamide, 2-chloro-N(sup 4)-furfuryl-
CID 3059602

Frequently Asked Questions

What is the IUPAC name of Sodium furosemide?
The IUPAC name of Sodium furosemide (CID 23673593) is sodium 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate.
What is the SMILES notation for Sodium furosemide?
The canonical SMILES for Sodium furosemide is C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)[O-])S(=O)(=O)N)Cl.[Na+].
What is the InChIKey of Sodium furosemide?
The InChIKey is DLFCAVBMDSKMEY-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11ClN2O5S.Na/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19;/h1-5,15H,6H2,(H,16,17)(H2,14,18,19);/q;+1/p-1.
What are the key properties of Sodium furosemide?
Sodium furosemide has a molecular weight of 352.73 g/mol, XLogP of not available, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Sodium furosemide is sourced from PubChem (CID 23673593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).