N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide

C12H19NO4S — CID 80686550

IUPACN-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)NC(CO)CO)c1ccccc1
InChIInChI=1S/C12H19NO4S/c1-10(11-5-3-2-4-6-11)9-18(16,17)13-12(7-14)8-15/h2-6,10,12-15H,7-9H2,1H3
InChIKeyBSCLACIXCATYAS-UHFFFAOYSA-N
MW273.35 g/mol
LogP0.06
Rot. Bonds7

About N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide

N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide (PubChem CID 80686550) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide
PubChem CID80686550
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)NC(CO)CO)c1ccccc1
InChIInChI=1S/C12H19NO4S/c1-10(11-5-3-2-4-6-11)9-18(16,17)13-12(7-14)8-15/h2-6,10,12-15H,7-9H2,1H3
InChIKeyBSCLACIXCATYAS-UHFFFAOYSA-N
XLogP0.06
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-hydroxy-2-(2-phenylpropylsulfonylamino)butanoic acid
CID 104935033
2-(2-phenylpropylsulfonylamino)butanoic acid
CID 80686458
3-(2-phenylpropylsulfonylamino)butanoic acid
CID 80686387
N-(3-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686189
N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686473
(2S)-4-amino-4-oxo-2-(2-phenylpropylsulfonylamino)butanoic acid
CID 80690279
N-(4-bromo-1-methoxybutan-2-yl)-2-phenylpropane-1-sulfonamide
CID 106158426
N-(1-cyanopropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686692
2-phenylpropane-1-sulfonic acid
CID 18989058
N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
CID 80686698
2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid
CID 80686315
N-(3-hydroxycyclobutyl)-2-phenylpropane-1-sulfonamide
CID 80685896

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide (CID 80686550) is N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide is CC(CS(=O)(=O)NC(CO)CO)c1ccccc1.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide?
The InChIKey is BSCLACIXCATYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-10(11-5-3-2-4-6-11)9-18(16,17)13-12(7-14)8-15/h2-6,10,12-15H,7-9H2,1H3.
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide?
N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide has a molecular weight of 273.35 g/mol, XLogP of 0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 80686550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).