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

C11H15NO4S — CID 2103950

IUPAC3-[methyl(propan-2-yl)sulfamoyl]benzoic acid
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C11H15NO4S/c1-8(2)12(3)17(15,16)10-6-4-5-9(7-10)11(13)14/h4-8H,1-3H3,(H,13,14)
InChIKeyBBDQQBLOJJWZAF-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.41
Rot. Bonds4

About 3-[methyl(propan-2-yl)sulfamoyl]benzoic acid

3-[methyl(propan-2-yl)sulfamoyl]benzoic acid (PubChem CID 2103950) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)sulfamoyl]benzoic acid
PubChem CID2103950
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name3-[methyl(propan-2-yl)sulfamoyl]benzoic acid
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C11H15NO4S/c1-8(2)12(3)17(15,16)10-6-4-5-9(7-10)11(13)14/h4-8H,1-3H3,(H,13,14)
InChIKeyBBDQQBLOJJWZAF-UHFFFAOYSA-N
XLogP1.41
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[methyl(propan-2-yl)sulfamoyl]benzoic acid (CID 2103950) is 3-[methyl(propan-2-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[methyl(propan-2-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[methyl(propan-2-yl)sulfamoyl]benzoic acid is CC(C)N(C)S(=O)(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[methyl(propan-2-yl)sulfamoyl]benzoic acid?
The InChIKey is BBDQQBLOJJWZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-8(2)12(3)17(15,16)10-6-4-5-9(7-10)11(13)14/h4-8H,1-3H3,(H,13,14).
What are the key properties of 3-[methyl(propan-2-yl)sulfamoyl]benzoic acid?
3-[methyl(propan-2-yl)sulfamoyl]benzoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2103950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).