N-(2,5-dimethylphenyl)propane-2-sulfonamide

C11H17NO2S — CID 62997790

IUPACN-(2,5-dimethylphenyl)propane-2-sulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)C(C)C)c1
InChIInChI=1S/C11H17NO2S/c1-8(2)15(13,14)12-11-7-9(3)5-6-10(11)4/h5-8,12H,1-4H3
InChIKeyNLHQEIGMJXNEPK-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.45
Rot. Bonds3

About N-(2,5-dimethylphenyl)propane-2-sulfonamide

N-(2,5-dimethylphenyl)propane-2-sulfonamide (PubChem CID 62997790) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)propane-2-sulfonamide
PubChem CID62997790
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-(2,5-dimethylphenyl)propane-2-sulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)C(C)C)c1
InChIInChI=1S/C11H17NO2S/c1-8(2)15(13,14)12-11-7-9(3)5-6-10(11)4/h5-8,12H,1-4H3
InChIKeyNLHQEIGMJXNEPK-UHFFFAOYSA-N
XLogP2.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylphenyl)ethanesulfonamide
CID 902936
N,N,4-trimethyl-3-(propan-2-ylsulfonylamino)benzamide
CID 62999680
2-(dimethylsulfamoylamino)-1,4-dimethylbenzene
CID 3889138
N-(2,5-dimethylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 7573896
(E)-3-[4-methyl-3-(propan-2-ylsulfonylamino)phenyl]prop-2-enoic acid
CID 109375048
2,5-dimethyl-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106723108
N-(2,5-dimethylphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 2058209
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
N-chloro-2,5-dimethylaniline
CID 141218472
N-bromo-2,5-dimethylaniline
CID 154170384
4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 146095930

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)propane-2-sulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)propane-2-sulfonamide (CID 62997790) is N-(2,5-dimethylphenyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)propane-2-sulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)propane-2-sulfonamide is Cc1ccc(C)c(NS(=O)(=O)C(C)C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)propane-2-sulfonamide?
The InChIKey is NLHQEIGMJXNEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-8(2)15(13,14)12-11-7-9(3)5-6-10(11)4/h5-8,12H,1-4H3.
What are the key properties of N-(2,5-dimethylphenyl)propane-2-sulfonamide?
N-(2,5-dimethylphenyl)propane-2-sulfonamide has a molecular weight of 227.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)propane-2-sulfonamide is sourced from PubChem (CID 62997790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).