2-[2-(tert-butylsulfamoylamino)phenoxy]acetic acid

C12H18N2O5S — CID 114806162

IUPAC2-[2-(tert-butylsulfamoylamino)phenoxy]acetic acid
SMILESCC(C)(C)NS(=O)(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C12H18N2O5S/c1-12(2,3)14-20(17,18)13-9-6-4-5-7-10(9)19-8-11(15)16/h4-7,13-14H,8H2,1-3H3,(H,15,16)
InChIKeyBQIKAJWSBHBFMZ-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.19
Rot. Bonds6

About 2-[2-(tert-butylsulfamoylamino)phenoxy]acetic acid

2-[2-(tert-butylsulfamoylamino)phenoxy]acetic acid (PubChem CID 114806162) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[2-(tert-butylsulfamoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(tert-butylsulfamoylamino)phenoxy]acetic acid
PubChem CID114806162
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name2-[2-(tert-butylsulfamoylamino)phenoxy]acetic acid
SMILESCC(C)(C)NS(=O)(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C12H18N2O5S/c1-12(2,3)14-20(17,18)13-9-6-4-5-7-10(9)19-8-11(15)16/h4-7,13-14H,8H2,1-3H3,(H,15,16)
InChIKeyBQIKAJWSBHBFMZ-UHFFFAOYSA-N
XLogP1.19
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methoxycarbonylsulfamoylamino)phenoxy]acetic acid
CID 114462681
2-[2-(difluoromethylsulfonylamino)phenoxy]acetic acid
CID 63745528
2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]phenoxy]acetic acid
CID 65266651
2-[2-[(3-methoxy-3-methylbutanoyl)amino]phenoxy]acetic acid
CID 103018697
2-(2-ethylsulfonylphenoxy)acetic acid
CID 114335185
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-[2-(2-methylprop-2-enoylamino)phenoxy]acetic acid
CID 13070434
2-(2-chlorosulfonylphenoxy)acetic acid
CID 54560500
2-[2-(but-2-ynoylamino)phenoxy]acetic acid
CID 107986692
2-[2-(3-methylbut-2-enoylamino)phenoxy]acetic acid
CID 55241875
2-[3-(2,2-dimethylpropanoylamino)-2-formylphenoxy]acetic acid
CID 21082629
2-[2-(2,2,2-trifluoroethylcarbamoylamino)phenoxy]acetic acid
CID 63746569

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylsulfamoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[2-(tert-butylsulfamoylamino)phenoxy]acetic acid (CID 114806162) is 2-[2-(tert-butylsulfamoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(tert-butylsulfamoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(tert-butylsulfamoylamino)phenoxy]acetic acid is CC(C)(C)NS(=O)(=O)Nc1ccccc1OCC(=O)O.
What is the InChIKey of 2-[2-(tert-butylsulfamoylamino)phenoxy]acetic acid?
The InChIKey is BQIKAJWSBHBFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-12(2,3)14-20(17,18)13-9-6-4-5-7-10(9)19-8-11(15)16/h4-7,13-14H,8H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-(tert-butylsulfamoylamino)phenoxy]acetic acid?
2-[2-(tert-butylsulfamoylamino)phenoxy]acetic acid has a molecular weight of 302.35 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylsulfamoylamino)phenoxy]acetic acid is sourced from PubChem (CID 114806162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).