2-(butylsulfonylamino)-2-phenylacetic acid

C12H17NO4S — CID 16775375

IUPAC2-(butylsulfonylamino)-2-phenylacetic acid
SMILESCCCCS(=O)(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C12H17NO4S/c1-2-3-9-18(16,17)13-11(12(14)15)10-7-5-4-6-8-10/h4-8,11,13H,2-3,9H2,1H3,(H,14,15)
InChIKeyXEGDMDUSRAIGJV-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.53
Rot. Bonds7

About 2-(butylsulfonylamino)-2-phenylacetic acid

2-(butylsulfonylamino)-2-phenylacetic acid (PubChem CID 16775375) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-(butylsulfonylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(butylsulfonylamino)-2-phenylacetic acid
PubChem CID16775375
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name2-(butylsulfonylamino)-2-phenylacetic acid
SMILESCCCCS(=O)(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C12H17NO4S/c1-2-3-9-18(16,17)13-11(12(14)15)10-7-5-4-6-8-10/h4-8,11,13H,2-3,9H2,1H3,(H,14,15)
InChIKeyXEGDMDUSRAIGJV-UHFFFAOYSA-N
XLogP1.53
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-methylsulfonylethylsulfonylamino)-2-phenylacetic acid
CID 103862434
2-(butylsulfonylamino)-2-thiophen-2-ylacetic acid
CID 115284360
(2S)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]-2-phenylacetic acid
CID 103862426
(2R)-2-phenyl-2-(3-phenylmethoxypropylsulfonylamino)acetic acid
CID 114286000
(2S)-2-[[butyl(methyl)sulfamoyl]amino]-2-phenylacetic acid
CID 103862421
(2S)-2-(2-methoxypropylsulfonylamino)-2-phenylacetic acid
CID 122067686
(2S)-2-(benzylsulfonylamino)-2-phenylacetic acid
CID 103862430
(2R)-2-(2-methylprop-2-enylsulfonylamino)-2-phenylacetic acid
CID 122069455
(2S)-2-(ethylsulfamoylamino)-2-phenylacetic acid
CID 103862444
(2R)-2-(butylsulfonylamino)butanoic acid
CID 42255264
(2R)-2-(hexan-3-ylsulfonylamino)-2-phenylacetic acid
CID 122069461
(2R)-2-(pentylamino)-2-phenylacetic acid
CID 94357515

Frequently Asked Questions

What is the IUPAC name of 2-(butylsulfonylamino)-2-phenylacetic acid?
The IUPAC name of 2-(butylsulfonylamino)-2-phenylacetic acid (CID 16775375) is 2-(butylsulfonylamino)-2-phenylacetic acid.
What is the SMILES notation for 2-(butylsulfonylamino)-2-phenylacetic acid?
The canonical SMILES for 2-(butylsulfonylamino)-2-phenylacetic acid is CCCCS(=O)(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(butylsulfonylamino)-2-phenylacetic acid?
The InChIKey is XEGDMDUSRAIGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-2-3-9-18(16,17)13-11(12(14)15)10-7-5-4-6-8-10/h4-8,11,13H,2-3,9H2,1H3,(H,14,15).
What are the key properties of 2-(butylsulfonylamino)-2-phenylacetic acid?
2-(butylsulfonylamino)-2-phenylacetic acid has a molecular weight of 271.34 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfonylamino)-2-phenylacetic acid is sourced from PubChem (CID 16775375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).