N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide

C12H17NO3S — CID 80686698

IUPACN-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
SMILESCC(=O)CNS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C12H17NO3S/c1-10(12-6-4-3-5-7-12)9-17(15,16)13-8-11(2)14/h3-7,10,13H,8-9H2,1-2H3
InChIKeyQQACYTJEBBNGBL-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.30
Rot. Bonds6

About N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide

N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide (PubChem CID 80686698) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
PubChem CID80686698
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
SMILESCC(=O)CNS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C12H17NO3S/c1-10(12-6-4-3-5-7-12)9-17(15,16)13-8-11(2)14/h3-7,10,13H,8-9H2,1-2H3
InChIKeyQQACYTJEBBNGBL-UHFFFAOYSA-N
XLogP1.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide
CID 80686188
N-(3-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686189
2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid
CID 80686315
3-(2-phenylpropylsulfonylamino)butanoic acid
CID 80686387
1-[(2-phenylpropylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450131
N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 113282766
N-(6-bromohexyl)-2-phenylpropane-1-sulfonamide
CID 107848755
N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686550
N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686473
2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride
CID 81358184
N-[2-(ethylamino)ethyl]-2-phenylpropane-1-sulfonamide
CID 80686787
2-(2-phenylpropylsulfonylamino)butanoic acid
CID 80686458

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide (CID 80686698) is N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide is CC(=O)CNS(=O)(=O)CC(C)c1ccccc1.
What is the InChIKey of N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide?
The InChIKey is QQACYTJEBBNGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-10(12-6-4-3-5-7-12)9-17(15,16)13-8-11(2)14/h3-7,10,13H,8-9H2,1-2H3.
What are the key properties of N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide?
N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 80686698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).