2-amino-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid

C11H16N2O4S — CID 154206653

IUPAC2-amino-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid
SMILESCC(C)N(C)S(=O)(=O)c1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C11H16N2O4S/c1-7(2)13(3)18(16,17)8-4-5-10(12)9(6-8)11(14)15/h4-7H,12H2,1-3H3,(H,14,15)
InChIKeyNWGSLWMLLRQKKB-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.00
Rot. Bonds4

About 2-amino-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid

2-amino-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid (PubChem CID 154206653) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-amino-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-amino-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid
PubChem CID154206653
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-amino-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid
SMILESCC(C)N(C)S(=O)(=O)c1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C11H16N2O4S/c1-7(2)13(3)18(16,17)8-4-5-10(12)9(6-8)11(14)15/h4-7H,12H2,1-3H3,(H,14,15)
InChIKeyNWGSLWMLLRQKKB-UHFFFAOYSA-N
XLogP1.00
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-ethyl-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 43257148
2-amino-5-ethylsulfonylbenzoic acid
CID 141345275
2-bromo-5-[methyl(pentan-3-yl)sulfamoyl]benzoic acid
CID 43429131
2-amino-5-tert-butylsulfonylbenzoic acid
CID 102742057
(3,4-diaminophenyl)sulfonyl-methylcarbamic acid
CID 89179009
2-methoxy-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid
CID 43572047
2-methoxy-5-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid
CID 60951886
3-(azocane-1-carbonyl)-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 51145580
2-bromo-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
CID 43271847
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
5-(dimethylsulfamoyl)-2-(propan-2-ylamino)benzoic acid
CID 60702313
ethyl 4-[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 36861151

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid?
The IUPAC name of 2-amino-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid (CID 154206653) is 2-amino-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-amino-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-amino-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid is CC(C)N(C)S(=O)(=O)c1ccc(N)c(C(=O)O)c1.
What is the InChIKey of 2-amino-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid?
The InChIKey is NWGSLWMLLRQKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-7(2)13(3)18(16,17)8-4-5-10(12)9(6-8)11(14)15/h4-7H,12H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid?
2-amino-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid has a molecular weight of 272.33 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 154206653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).