Mafenide Acetate

C9H14N2O4S — CID 25590

IUPACacetic acid;4-(aminomethyl)benzenesulfonamide
SMILESCC(=O)O.C1=CC(=CC=C1CN)S(=O)(=O)N
InChIInChI=1S/C7H10N2O2S.C2H4O2/c8-5-6-1-3-7(4-2-6)12(9,10)11;1-2(3)4/h1-4H,5,8H2,(H2,9,10,11);1H3,(H,3,4)
InChIKeyUILOTUUZKGTYFQ-UHFFFAOYSA-N
MW246.29 g/mol
LogP—
Rot. Bonds2

About Mafenide Acetate

Mafenide Acetate (PubChem CID 25590) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is acetic acid;4-(aminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameMafenide Acetate
PubChem CID25590
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC Nameacetic acid;4-(aminomethyl)benzenesulfonamide
SMILESCC(=O)O.C1=CC(=CC=C1CN)S(=O)(=O)N
InChIInChI=1S/C7H10N2O2S.C2H4O2/c8-5-6-1-3-7(4-2-6)12(9,10)11;1-2(3)4/h1-4H,5,8H2,(H2,9,10,11);1H3,(H,3,4)
InChIKeyUILOTUUZKGTYFQ-UHFFFAOYSA-N
XLogP—
TPSA132.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity255

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Mafenide
CID 3998
Mafenide Hydrochloride
CID 67313
p-Toluenesulfonamide, N-benzyl-
CID 95801
N-((4-Methylphenyl)sulfonyl)glycine
CID 70653
Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]-
CID 95822
3-(4-Methylbenzenesulfonamido)propanoic acid
CID 266802
2-[[(4-Methylphenyl)sulfonyl]amino]propanoic acid
CID 362747
4-(Benzenesulfonamidomethyl)benzene-1-sulfonamide
CID 724642
4-(4-Methylbenzenesulfonamido)butanoic acid
CID 1714937
4-methyl-N-[(4-sulfamoylphenyl)methyl]benzene-1-sulfonamide
CID 2525511
Methyl 2-(4-methylphenylsulfonamido)acetate
CID 562880
4-(1-Aminoethyl)benzene-1-sulfonamide
CID 3689755

Frequently Asked Questions

What is the IUPAC name of Mafenide Acetate?
The IUPAC name of Mafenide Acetate (CID 25590) is acetic acid;4-(aminomethyl)benzenesulfonamide.
What is the SMILES notation for Mafenide Acetate?
The canonical SMILES for Mafenide Acetate is CC(=O)O.C1=CC(=CC=C1CN)S(=O)(=O)N.
What is the InChIKey of Mafenide Acetate?
The InChIKey is UILOTUUZKGTYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S.C2H4O2/c8-5-6-1-3-7(4-2-6)12(9,10)11;1-2(3)4/h1-4H,5,8H2,(H2,9,10,11);1H3,(H,3,4).
What are the key properties of Mafenide Acetate?
Mafenide Acetate has a molecular weight of 246.29 g/mol, XLogP of not available, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Mafenide Acetate is sourced from PubChem (CID 25590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).