2-(butan-2-ylsulfonylamino)benzoic acid

C11H15NO4S — CID 70482313

IUPAC2-(butan-2-ylsulfonylamino)benzoic acid
SMILESCCC(C)S(=O)(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C11H15NO4S/c1-3-8(2)17(15,16)12-10-7-5-4-6-9(10)11(13)14/h4-8,12H,3H2,1-2H3,(H,13,14)
InChIKeyMPOUNVOTGMIWAT-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.92
Rot. Bonds5

About 2-(butan-2-ylsulfonylamino)benzoic acid

2-(butan-2-ylsulfonylamino)benzoic acid (PubChem CID 70482313) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(butan-2-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name2-(butan-2-ylsulfonylamino)benzoic acid
PubChem CID70482313
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-(butan-2-ylsulfonylamino)benzoic acid
SMILESCCC(C)S(=O)(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C11H15NO4S/c1-3-8(2)17(15,16)12-10-7-5-4-6-9(10)11(13)14/h4-8,12H,3H2,1-2H3,(H,13,14)
InChIKeyMPOUNVOTGMIWAT-UHFFFAOYSA-N
XLogP1.92
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)benzoic acid
CID 19609454
2-[(3-chloro-2-methylpropyl)sulfonylamino]benzoic acid
CID 79585334
2-(pentan-3-ylamino)benzoic acid
CID 43139564
2-(1-hydroxypropylamino)benzoic acid
CID 19907036
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
3-(1-carboxyethylsulfonylamino)-2-methylbenzoic acid
CID 61454859
4-butan-2-ylsulfanylnaphthalene-1-carboxylic acid
CID 114088674
2-(hexan-3-ylamino)benzoic acid
CID 62230532
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
2-(3-hydroxypentan-3-ylamino)benzoic acid
CID 175069795
2-[[2-(ethylsulfonylamino)benzoyl]amino]propanoic acid
CID 119225575
2-(2-aminoethylsulfamoylamino)benzoic acid
CID 84761008

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylsulfonylamino)benzoic acid?
The IUPAC name of 2-(butan-2-ylsulfonylamino)benzoic acid (CID 70482313) is 2-(butan-2-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 2-(butan-2-ylsulfonylamino)benzoic acid?
The canonical SMILES for 2-(butan-2-ylsulfonylamino)benzoic acid is CCC(C)S(=O)(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-(butan-2-ylsulfonylamino)benzoic acid?
The InChIKey is MPOUNVOTGMIWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-3-8(2)17(15,16)12-10-7-5-4-6-9(10)11(13)14/h4-8,12H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-(butan-2-ylsulfonylamino)benzoic acid?
2-(butan-2-ylsulfonylamino)benzoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 70482313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).