2,4-difluoro-5-(2-sulfamoylethylcarbamoylamino)benzoic acid

C10H11F2N3O5S — CID 61202634

IUPAC2,4-difluoro-5-(2-sulfamoylethylcarbamoylamino)benzoic acid
SMILESNS(=O)(=O)CCNC(=O)Nc1cc(C(=O)O)c(F)cc1F
InChIInChI=1S/C10H11F2N3O5S/c11-6-4-7(12)8(3-5(6)9(16)17)15-10(18)14-1-2-21(13,19)20/h3-4H,1-2H2,(H,16,17)(H2,13,19,20)(H2,14,15,18)
InChIKeyZUPSLLPZUOYRJY-UHFFFAOYSA-N
MW323.28 g/mol
LogP0.07
Rot. Bonds5

About 2,4-difluoro-5-(2-sulfamoylethylcarbamoylamino)benzoic acid

2,4-difluoro-5-(2-sulfamoylethylcarbamoylamino)benzoic acid (PubChem CID 61202634) has the molecular formula C10H11F2N3O5S and a molecular weight of 323.28 g/mol. Its IUPAC name is 2,4-difluoro-5-(2-sulfamoylethylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name2,4-difluoro-5-(2-sulfamoylethylcarbamoylamino)benzoic acid
PubChem CID61202634
Molecular FormulaC10H11F2N3O5S
Molecular Weight323.28 g/mol
Exact Mass323.04
IUPAC Name2,4-difluoro-5-(2-sulfamoylethylcarbamoylamino)benzoic acid
SMILESNS(=O)(=O)CCNC(=O)Nc1cc(C(=O)O)c(F)cc1F
InChIInChI=1S/C10H11F2N3O5S/c11-6-4-7(12)8(3-5(6)9(16)17)15-10(18)14-1-2-21(13,19)20/h3-4H,1-2H2,(H,16,17)(H2,13,19,20)(H2,14,15,18)
InChIKeyZUPSLLPZUOYRJY-UHFFFAOYSA-N
XLogP0.07
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2,4-difluorobenzoic acid
CID 62635151
5-(cyclobutylmethylcarbamoylamino)-2,4-difluorobenzoic acid
CID 61197047
2-hydroxy-4-(2-sulfamoylethylcarbamoylamino)benzoic acid
CID 61202066
2,4-difluoro-5-(2-methylbutylcarbamoylamino)benzoic acid
CID 62693985
5-amino-2,4-difluoro-N-(2-sulfamoylethyl)benzamide
CID 61094642
5-[(2,2-difluoroacetyl)amino]-2,4-difluorobenzoic acid
CID 103513190
5-[(2-bromoacetyl)amino]-2,4-difluorobenzoic acid
CID 63679678
5-(4-aminobutanoylamino)-2,4-difluorobenzoic acid
CID 43696525
3-[(5-bromo-2,4-difluorophenyl)carbamoylamino]propanoic acid
CID 102854362
5-(2-chloroethylsulfonylamino)-2,4-difluorobenzoic acid
CID 107651242
4-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoylamino]butanoic acid
CID 122076172
2,4-difluoro-5-(1-methylsulfonylpropan-2-ylamino)benzoic acid
CID 64629535

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-(2-sulfamoylethylcarbamoylamino)benzoic acid?
The IUPAC name of 2,4-difluoro-5-(2-sulfamoylethylcarbamoylamino)benzoic acid (CID 61202634) is 2,4-difluoro-5-(2-sulfamoylethylcarbamoylamino)benzoic acid.
What is the SMILES notation for 2,4-difluoro-5-(2-sulfamoylethylcarbamoylamino)benzoic acid?
The canonical SMILES for 2,4-difluoro-5-(2-sulfamoylethylcarbamoylamino)benzoic acid is NS(=O)(=O)CCNC(=O)Nc1cc(C(=O)O)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-(2-sulfamoylethylcarbamoylamino)benzoic acid?
The InChIKey is ZUPSLLPZUOYRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O5S/c11-6-4-7(12)8(3-5(6)9(16)17)15-10(18)14-1-2-21(13,19)20/h3-4H,1-2H2,(H,16,17)(H2,13,19,20)(H2,14,15,18).
What are the key properties of 2,4-difluoro-5-(2-sulfamoylethylcarbamoylamino)benzoic acid?
2,4-difluoro-5-(2-sulfamoylethylcarbamoylamino)benzoic acid has a molecular weight of 323.28 g/mol, XLogP of 0.07, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-(2-sulfamoylethylcarbamoylamino)benzoic acid is sourced from PubChem (CID 61202634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).