4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide

C13H21NO3S — CID 39086808

IUPAC4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILESC[C@H](CO)NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H21NO3S/c1-10(9-15)14-18(16,17)12-7-5-11(6-8-12)13(2,3)4/h5-8,10,14-15H,9H2,1-4H3/t10-/m1/s1
InChIKeyYFGGJIKIOXADCY-SNVBAGLBSA-N
MW271.38 g/mol
LogP1.64
Rot. Bonds4

About 4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide

4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide (PubChem CID 39086808) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
PubChem CID39086808
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILESC[C@H](CO)NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H21NO3S/c1-10(9-15)14-18(16,17)12-7-5-11(6-8-12)13(2,3)4/h5-8,10,14-15H,9H2,1-4H3/t10-/m1/s1
InChIKeyYFGGJIKIOXADCY-SNVBAGLBSA-N
XLogP1.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 42913111
N-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39086802
4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 42999390
methyl 4-(1-hydroxypropan-2-ylsulfamoyl)benzoate
CID 43476805
methyl 2-[(4-tert-butylphenyl)sulfonylamino]propanoate
CID 60626142
methyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate
CID 87040237
3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502121
N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide
CID 22772310
(2R)-2-[(4-tert-butylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933793
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]butanoic acid
CID 42255460
4-tert-butyl-N-(1,1-dimethoxypropan-2-yl)benzenesulfonamide
CID 5006401
3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 106546351

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide (CID 39086808) is 4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide is C[C@H](CO)NS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
The InChIKey is YFGGJIKIOXADCY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-10(9-15)14-18(16,17)12-7-5-11(6-8-12)13(2,3)4/h5-8,10,14-15H,9H2,1-4H3/t10-/m1/s1.
What are the key properties of 4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 39086808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).