N-tert-butyl-2-oxo-2-phenylethanesulfonamide

C12H17NO3S — CID 135085401

IUPACN-tert-butyl-2-oxo-2-phenylethanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)CC(=O)c1ccccc1
InChIInChI=1S/C12H17NO3S/c1-12(2,3)13-17(15,16)9-11(14)10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3
InChIKeyXUKYDWPZQQADAO-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.59
Rot. Bonds4

About N-tert-butyl-2-oxo-2-phenylethanesulfonamide

N-tert-butyl-2-oxo-2-phenylethanesulfonamide (PubChem CID 135085401) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-tert-butyl-2-oxo-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-oxo-2-phenylethanesulfonamide
PubChem CID135085401
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-tert-butyl-2-oxo-2-phenylethanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)CC(=O)c1ccccc1
InChIInChI=1S/C12H17NO3S/c1-12(2,3)13-17(15,16)9-11(14)10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3
InChIKeyXUKYDWPZQQADAO-UHFFFAOYSA-N
XLogP1.59
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-oxo-2-phenylethanesulfonamide?
The IUPAC name of N-tert-butyl-2-oxo-2-phenylethanesulfonamide (CID 135085401) is N-tert-butyl-2-oxo-2-phenylethanesulfonamide.
What is the SMILES notation for N-tert-butyl-2-oxo-2-phenylethanesulfonamide?
The canonical SMILES for N-tert-butyl-2-oxo-2-phenylethanesulfonamide is CC(C)(C)NS(=O)(=O)CC(=O)c1ccccc1.
What is the InChIKey of N-tert-butyl-2-oxo-2-phenylethanesulfonamide?
The InChIKey is XUKYDWPZQQADAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-12(2,3)13-17(15,16)9-11(14)10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3.
What are the key properties of N-tert-butyl-2-oxo-2-phenylethanesulfonamide?
N-tert-butyl-2-oxo-2-phenylethanesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-oxo-2-phenylethanesulfonamide is sourced from PubChem (CID 135085401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).