4-amino-2-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid

C10H13N3O5S — CID 102930917

IUPAC4-amino-2-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCNC(=O)CNS(=O)(=O)c1cc(N)ccc1C(=O)O
InChIInChI=1S/C10H13N3O5S/c1-12-9(14)5-13-19(17,18)8-4-6(11)2-3-7(8)10(15)16/h2-4,13H,5,11H2,1H3,(H,12,14)(H,15,16)
InChIKeyHBDMJBHWXPMMPK-UHFFFAOYSA-N
MW287.30 g/mol
LogP-1.01
Rot. Bonds5

About 4-amino-2-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid

4-amino-2-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid (PubChem CID 102930917) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is 4-amino-2-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
PubChem CID102930917
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC Name4-amino-2-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCNC(=O)CNS(=O)(=O)c1cc(N)ccc1C(=O)O
InChIInChI=1S/C10H13N3O5S/c1-12-9(14)5-13-19(17,18)8-4-6(11)2-3-7(8)10(15)16/h2-4,13H,5,11H2,1H3,(H,12,14)(H,15,16)
InChIKeyHBDMJBHWXPMMPK-UHFFFAOYSA-N
XLogP-1.01
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 102930931
4-amino-2-[2-(dimethylamino)propylsulfamoyl]benzoic acid
CID 102931085
4-amino-2-(3-sulfamoylpropylsulfamoyl)benzoic acid
CID 102931171
2-[(5-amino-3-bromo-2-chlorophenyl)sulfonylamino]-N-methylacetamide
CID 114274501
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide
CID 64851480
4-amino-2-(3-methylsulfinylpropylsulfamoyl)benzoic acid
CID 102931661
4-amino-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]benzoic acid
CID 102930936
2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214152
2-iodo-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 103962275
4-amino-2-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid
CID 102931325
4-amino-2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]benzoic acid
CID 102931784
4-amino-2-[(3-hydroxy-4-methoxybutyl)sulfamoyl]benzoic acid
CID 106242617

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-amino-2-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid (CID 102930917) is 4-amino-2-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-amino-2-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-amino-2-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid is CNC(=O)CNS(=O)(=O)c1cc(N)ccc1C(=O)O.
What is the InChIKey of 4-amino-2-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The InChIKey is HBDMJBHWXPMMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5S/c1-12-9(14)5-13-19(17,18)8-4-6(11)2-3-7(8)10(15)16/h2-4,13H,5,11H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 4-amino-2-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
4-amino-2-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid has a molecular weight of 287.30 g/mol, XLogP of -1.01, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 102930917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).