2-methyl-6-propan-2-ylbenzenesulfonamide

C10H15NO2S — CID 43173644

IUPAC2-methyl-6-propan-2-ylbenzenesulfonamide
SMILESCc1cccc(C(C)C)c1S(N)(=O)=O
InChIInChI=1S/C10H15NO2S/c1-7(2)9-6-4-5-8(3)10(9)14(11,12)13/h4-7H,1-3H3,(H2,11,12,13)
InChIKeyIQLIZDJYKJGPFT-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.77
Rot. Bonds2

About 2-methyl-6-propan-2-ylbenzenesulfonamide

2-methyl-6-propan-2-ylbenzenesulfonamide (PubChem CID 43173644) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-methyl-6-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-6-propan-2-ylbenzenesulfonamide
PubChem CID43173644
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-methyl-6-propan-2-ylbenzenesulfonamide
SMILESCc1cccc(C(C)C)c1S(N)(=O)=O
InChIInChI=1S/C10H15NO2S/c1-7(2)9-6-4-5-8(3)10(9)14(11,12)13/h4-7H,1-3H3,(H2,11,12,13)
InChIKeyIQLIZDJYKJGPFT-UHFFFAOYSA-N
XLogP1.77
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-di(propan-2-yl)benzenesulfonic acid
CID 18935127
2-amino-3-propan-2-ylbenzenesulfonamide
CID 67063379
2-methyl-6-propan-2-ylaniline
CID 162117439
2-methyl-6-phenylbenzenesulfonamide
CID 118598398
2-methyl-6-propan-2-ylaniline;hydrofluoride
CID 174802119
3-propan-2-ylbenzene-1,2-disulfonic acid
CID 21149752
2-amino-3-methyl-6-propan-2-ylbenzenesulfonic acid
CID 154362313
N-[2,6-di(propan-2-yl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 19683992
2,6-dimethylbenzenesulfonate
CID 3015432
(2,6-dimethylphenyl)sulfonyl 2,6-dimethylbenzenesulfonate
CID 87941764
1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylphenol
CID 159173733
sulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene
CID 22723821

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-methyl-6-propan-2-ylbenzenesulfonamide (CID 43173644) is 2-methyl-6-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-methyl-6-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-methyl-6-propan-2-ylbenzenesulfonamide is Cc1cccc(C(C)C)c1S(N)(=O)=O.
What is the InChIKey of 2-methyl-6-propan-2-ylbenzenesulfonamide?
The InChIKey is IQLIZDJYKJGPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7(2)9-6-4-5-8(3)10(9)14(11,12)13/h4-7H,1-3H3,(H2,11,12,13).
What are the key properties of 2-methyl-6-propan-2-ylbenzenesulfonamide?
2-methyl-6-propan-2-ylbenzenesulfonamide has a molecular weight of 213.30 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43173644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).