2-(2-hydroxypropan-2-yl)-4-methyl-N-propan-2-ylbenzenesulfonamide

C13H21NO3S — CID 118545495

IUPAC2-(2-hydroxypropan-2-yl)-4-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)C)c(C(C)(C)O)c1
InChIInChI=1S/C13H21NO3S/c1-9(2)14-18(16,17)12-7-6-10(3)8-11(12)13(4,5)15/h6-9,14-15H,1-5H3
InChIKeyASLKPWAAPNKOKZ-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.91
Rot. Bonds4

About 2-(2-hydroxypropan-2-yl)-4-methyl-N-propan-2-ylbenzenesulfonamide

2-(2-hydroxypropan-2-yl)-4-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 118545495) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-4-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)-4-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID118545495
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-(2-hydroxypropan-2-yl)-4-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)C)c(C(C)(C)O)c1
InChIInChI=1S/C13H21NO3S/c1-9(2)14-18(16,17)12-7-6-10(3)8-11(12)13(4,5)15/h6-9,14-15H,1-5H3
InChIKeyASLKPWAAPNKOKZ-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxyprop-1-ynyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 60824572
2-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 115622947
N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 39086779
N-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide
CID 53289057
N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 11637441
2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide
CID 75841470
5-acetyl-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 39357441
(2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-2-phenyl-N-propan-2-ylacetamide
CID 110286675
5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 8777711
(2S,3R)-2-[(2,5-dimethylphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 14100896
2-[(2,5-dimethylphenyl)sulfonylamino]-3-methylbutanoate
CID 78429212
N-(1-chloropropan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 65031366

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-4-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-(2-hydroxypropan-2-yl)-4-methyl-N-propan-2-ylbenzenesulfonamide (CID 118545495) is 2-(2-hydroxypropan-2-yl)-4-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-4-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)-4-methyl-N-propan-2-ylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)C)c(C(C)(C)O)c1.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)-4-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is ASLKPWAAPNKOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-9(2)14-18(16,17)12-7-6-10(3)8-11(12)13(4,5)15/h6-9,14-15H,1-5H3.
What are the key properties of 2-(2-hydroxypropan-2-yl)-4-methyl-N-propan-2-ylbenzenesulfonamide?
2-(2-hydroxypropan-2-yl)-4-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)-4-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 118545495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).