N-(2-propan-2-ylphenyl)methanesulfonamide

C10H15NO2S — CID 849064

IUPACN-(2-propan-2-ylphenyl)methanesulfonamide
SMILESCC(C)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C10H15NO2S/c1-8(2)9-6-4-5-7-10(9)11-14(3,12)13/h4-8,11H,1-3H3
InChIKeyCASJONQAGVAUOZ-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.18
Rot. Bonds3

About N-(2-propan-2-ylphenyl)methanesulfonamide

N-(2-propan-2-ylphenyl)methanesulfonamide (PubChem CID 849064) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)methanesulfonamide
PubChem CID849064
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC NameN-(2-propan-2-ylphenyl)methanesulfonamide
SMILESCC(C)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C10H15NO2S/c1-8(2)9-6-4-5-7-10(9)11-14(3,12)13/h4-8,11H,1-3H3
InChIKeyCASJONQAGVAUOZ-UHFFFAOYSA-N
XLogP2.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethylaniline
CID 11357
2-Isopropylaniline
CID 12561
2-Propylaniline
CID 15759
2-tert-Butylaniline
CID 80574
2-Cyclopropylaniline
CID 76618
2-Isopropenylaniline
CID 96494
N,1-diphenylmethanesulfonamide
CID 669287
Benzenesulfono-o-toluidide
CID 87657
N-(4-Methylphenyl)methanesulfonamide
CID 835475
N-(2-ethylphenyl)-1-phenylmethanesulfonamide
CID 669288
2-Cyclohexylbenzenamine
CID 407899
N-(4-cyanophenyl)methanesulfonamide
CID 2734199

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)methanesulfonamide?
The IUPAC name of N-(2-propan-2-ylphenyl)methanesulfonamide (CID 849064) is N-(2-propan-2-ylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)methanesulfonamide is CC(C)c1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-(2-propan-2-ylphenyl)methanesulfonamide?
The InChIKey is CASJONQAGVAUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-8(2)9-6-4-5-7-10(9)11-14(3,12)13/h4-8,11H,1-3H3.
What are the key properties of N-(2-propan-2-ylphenyl)methanesulfonamide?
N-(2-propan-2-ylphenyl)methanesulfonamide has a molecular weight of 213.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)methanesulfonamide is sourced from PubChem (CID 849064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).