2-iodo-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid

C10H11IN2O5S — CID 103962275

IUPAC2-iodo-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCNC(=O)CNS(=O)(=O)c1ccc(I)c(C(=O)O)c1
InChIInChI=1S/C10H11IN2O5S/c1-12-9(14)5-13-19(17,18)6-2-3-8(11)7(4-6)10(15)16/h2-4,13H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyCGDKEERMIGFDPA-UHFFFAOYSA-N
MW398.18 g/mol
LogP0.01
Rot. Bonds5

About 2-iodo-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid

2-iodo-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid (PubChem CID 103962275) has the molecular formula C10H11IN2O5S and a molecular weight of 398.18 g/mol. Its IUPAC name is 2-iodo-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-iodo-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
PubChem CID103962275
Molecular FormulaC10H11IN2O5S
Molecular Weight398.18 g/mol
Exact Mass397.94
IUPAC Name2-iodo-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCNC(=O)CNS(=O)(=O)c1ccc(I)c(C(=O)O)c1
InChIInChI=1S/C10H11IN2O5S/c1-12-9(14)5-13-19(17,18)6-2-3-8(11)7(4-6)10(15)16/h2-4,13H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyCGDKEERMIGFDPA-UHFFFAOYSA-N
XLogP0.01
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.18
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]-2-iodobenzoic acid
CID 103962308
2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214152
2-iodo-5-(2-methoxypropylsulfamoyl)benzoic acid
CID 102695735
5-(5-hydroxypentylsulfamoyl)-2-iodobenzoic acid
CID 107316572
5-(3-hydroxybutylsulfamoyl)-2-iodobenzoic acid
CID 113359369
5-(hydroxysulfamoyl)-2-iodobenzoic acid
CID 103962652
5-(but-3-ynylsulfamoyl)-2-iodobenzoic acid
CID 103962532
5-(dimethylaminosulfamoyl)-2-iodobenzoic acid
CID 103962667
5-[(5-amino-5-oxopentyl)sulfamoyl]-2-iodobenzoic acid
CID 106234811
5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-iodobenzoic acid
CID 106168555
2-iodo-5-(pyridin-4-ylmethylsulfamoyl)benzoic acid
CID 103962241
4-amino-2-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 102930917

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The IUPAC name of 2-iodo-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid (CID 103962275) is 2-iodo-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-iodo-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-iodo-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid is CNC(=O)CNS(=O)(=O)c1ccc(I)c(C(=O)O)c1.
What is the InChIKey of 2-iodo-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The InChIKey is CGDKEERMIGFDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O5S/c1-12-9(14)5-13-19(17,18)6-2-3-8(11)7(4-6)10(15)16/h2-4,13H,5H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-iodo-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
2-iodo-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid has a molecular weight of 398.18 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 103962275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).