N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide

C10H15NO4S — CID 720899

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(CO)(CO)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H15NO4S/c1-10(7-12,8-13)11-16(14,15)9-5-3-2-4-6-9/h2-6,11-13H,7-8H2,1H3
InChIKeyFXFLFZLWSZEBBU-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.29
Rot. Bonds5

About N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide (PubChem CID 720899) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide
PubChem CID720899
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(CO)(CO)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H15NO4S/c1-10(7-12,8-13)11-16(14,15)9-5-3-2-4-6-9/h2-6,11-13H,7-8H2,1H3
InChIKeyFXFLFZLWSZEBBU-UHFFFAOYSA-N
XLogP-0.29
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide (CID 720899) is N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide is CC(CO)(CO)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The InChIKey is FXFLFZLWSZEBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-10(7-12,8-13)11-16(14,15)9-5-3-2-4-6-9/h2-6,11-13H,7-8H2,1H3.
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide has a molecular weight of 245.30 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 720899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).