5-(dimethylaminosulfamoyl)-2-iodobenzoic acid

C9H11IN2O4S — CID 103962667

IUPAC5-(dimethylaminosulfamoyl)-2-iodobenzoic acid
SMILESCN(C)NS(=O)(=O)c1ccc(I)c(C(=O)O)c1
InChIInChI=1S/C9H11IN2O4S/c1-12(2)11-17(15,16)6-3-4-8(10)7(5-6)9(13)14/h3-5,11H,1-2H3,(H,13,14)
InChIKeyNYJPOTLLJFEDSL-UHFFFAOYSA-N
MW370.17 g/mol
LogP0.74
Rot. Bonds4

About 5-(dimethylaminosulfamoyl)-2-iodobenzoic acid

5-(dimethylaminosulfamoyl)-2-iodobenzoic acid (PubChem CID 103962667) has the molecular formula C9H11IN2O4S and a molecular weight of 370.17 g/mol. Its IUPAC name is 5-(dimethylaminosulfamoyl)-2-iodobenzoic acid.

Molecular Properties

Compound Name5-(dimethylaminosulfamoyl)-2-iodobenzoic acid
PubChem CID103962667
Molecular FormulaC9H11IN2O4S
Molecular Weight370.17 g/mol
Exact Mass369.95
IUPAC Name5-(dimethylaminosulfamoyl)-2-iodobenzoic acid
SMILESCN(C)NS(=O)(=O)c1ccc(I)c(C(=O)O)c1
InChIInChI=1S/C9H11IN2O4S/c1-12(2)11-17(15,16)6-3-4-8(10)7(5-6)9(13)14/h3-5,11H,1-2H3,(H,13,14)
InChIKeyNYJPOTLLJFEDSL-UHFFFAOYSA-N
XLogP0.74
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.17
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(dimethylaminosulfamoyl)benzoic acid
CID 83004774
5-(hydroxysulfamoyl)-2-iodobenzoic acid
CID 103962652
5-fluorosulfonyl-2-iodobenzoic acid
CID 166000203
2-iodo-5-(pyrimidin-2-ylsulfamoyl)benzoic acid
CID 103962224
5-[ethyl(methyl)sulfamoyl]-2-iodobenzoic acid
CID 103962258
2-iodo-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 103962275
5-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2-iodobenzoic acid
CID 103962395
2-iodo-5-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 103962339
5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2-iodobenzoic acid
CID 103962212
2-iodo-5-[(2-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 103962591
5-[2-hydroxyethyl(methyl)sulfamoyl]-2-iodobenzoic acid
CID 103962355
2-iodo-5-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]benzoic acid
CID 103962635

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylaminosulfamoyl)-2-iodobenzoic acid?
The IUPAC name of 5-(dimethylaminosulfamoyl)-2-iodobenzoic acid (CID 103962667) is 5-(dimethylaminosulfamoyl)-2-iodobenzoic acid.
What is the SMILES notation for 5-(dimethylaminosulfamoyl)-2-iodobenzoic acid?
The canonical SMILES for 5-(dimethylaminosulfamoyl)-2-iodobenzoic acid is CN(C)NS(=O)(=O)c1ccc(I)c(C(=O)O)c1.
What is the InChIKey of 5-(dimethylaminosulfamoyl)-2-iodobenzoic acid?
The InChIKey is NYJPOTLLJFEDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O4S/c1-12(2)11-17(15,16)6-3-4-8(10)7(5-6)9(13)14/h3-5,11H,1-2H3,(H,13,14).
What are the key properties of 5-(dimethylaminosulfamoyl)-2-iodobenzoic acid?
5-(dimethylaminosulfamoyl)-2-iodobenzoic acid has a molecular weight of 370.17 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylaminosulfamoyl)-2-iodobenzoic acid is sourced from PubChem (CID 103962667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).