N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide

C11H17NO3S — CID 115362987

IUPACN-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
SMILESCC(C)(CO)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H17NO3S/c1-11(2,9-13)8-12-16(14,15)10-6-4-3-5-7-10/h3-7,12-13H,8-9H2,1-2H3
InChIKeyDJGDLEIWHYCLQR-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.98
Rot. Bonds5

About N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide

N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide (PubChem CID 115362987) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
PubChem CID115362987
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
SMILESCC(C)(CO)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H17NO3S/c1-11(2,9-13)8-12-16(14,15)10-6-4-3-5-7-10/h3-7,12-13H,8-9H2,1-2H3
InChIKeyDJGDLEIWHYCLQR-UHFFFAOYSA-N
XLogP0.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115362965
N-(3-hydroxy-2,2-dimethylpropyl)-4-methylbenzenesulfonamide
CID 5174849
N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide
CID 115365229
(E)-3-[4-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 115358296
N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
N-(3-hydroxy-2,2-dimethylpropyl)-1H-pyrrole-3-sulfonamide
CID 115363011
N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide
CID 90499346
N-(1,2-dihydroxypropan-2-yl)benzenesulfonamide
CID 172624828
N-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide
CID 90498566
N-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-3-nitrobenzenesulfonamide
CID 115363046
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide
CID 4993242
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)benzenesulfonamide
CID 71787335

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide (CID 115362987) is N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide is CC(C)(CO)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide?
The InChIKey is DJGDLEIWHYCLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-11(2,9-13)8-12-16(14,15)10-6-4-3-5-7-10/h3-7,12-13H,8-9H2,1-2H3.
What are the key properties of N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide?
N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide is sourced from PubChem (CID 115362987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).