(2,5-dimethylphenyl)methanesulfonamide

C18H26N2O4S2 — CID 69226384

IUPAC(2,5-dimethylphenyl)methanesulfonamide
SMILESCc1ccc(C)c(CS(N)(=O)=O)c1.Cc1ccc(C)c(CS(N)(=O)=O)c1
InChIInChI=1S/2C9H13NO2S/c2*1-7-3-4-8(2)9(5-7)6-13(10,11)12/h2*3-5H,6H2,1-2H3,(H2,10,11,12)
InChIKeyPRVOUFAIADVJSL-UHFFFAOYSA-N
MW398.55 g/mol
LogP2.18
Rot. Bonds4

About (2,5-dimethylphenyl)methanesulfonamide

(2,5-dimethylphenyl)methanesulfonamide (PubChem CID 69226384) has the molecular formula C18H26N2O4S2 and a molecular weight of 398.55 g/mol. Its IUPAC name is (2,5-dimethylphenyl)methanesulfonamide.

Molecular Properties

Compound Name(2,5-dimethylphenyl)methanesulfonamide
PubChem CID69226384
Molecular FormulaC18H26N2O4S2
Molecular Weight398.55 g/mol
Exact Mass398.13
IUPAC Name(2,5-dimethylphenyl)methanesulfonamide
SMILESCc1ccc(C)c(CS(N)(=O)=O)c1.Cc1ccc(C)c(CS(N)(=O)=O)c1
InChIInChI=1S/2C9H13NO2S/c2*1-7-3-4-8(2)9(5-7)6-13(10,11)12/h2*3-5H,6H2,1-2H3,(H2,10,11,12)
InChIKeyPRVOUFAIADVJSL-UHFFFAOYSA-N
XLogP2.18
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2,5-dimethylphenyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-dimethylphenyl)methanesulfonamide
CID 59964487
2-[(2,5-dimethylphenyl)methylsulfonyl]-5-methylaniline
CID 81193184
4-bromo-2-[(2,5-dimethylphenyl)methylsulfonyl]aniline
CID 81206936
2-(2,5-dimethylphenyl)ethanesulfonic acid;(2,5-dimethylphenyl)methanesulfonic acid
CID 91079290
2-[(2,5-dimethylphenyl)methylsulfonyl]-2-methylpropanoic acid
CID 81229221
3-chloro-2-[(2,5-dimethylphenyl)methylsulfonyl]aniline
CID 81185154
methyl 2-[(2,5-dimethylphenyl)methylsulfonylamino]acetate
CID 22299566
2-[(2,5-dimethylphenyl)methylsulfonyl]-1-oxidopyridin-1-ium-3-ol
CID 501211
N-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117043979
2-(fluoromethyl)-1,4-dimethylbenzene
CID 15724447
4-(2,5-dimethylphenyl)butane-1-sulfonyl chloride
CID 98702218
[4-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]methanesulfonamide
CID 63324512

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)methanesulfonamide?
The IUPAC name of (2,5-dimethylphenyl)methanesulfonamide (CID 69226384) is (2,5-dimethylphenyl)methanesulfonamide.
What is the SMILES notation for (2,5-dimethylphenyl)methanesulfonamide?
The canonical SMILES for (2,5-dimethylphenyl)methanesulfonamide is Cc1ccc(C)c(CS(N)(=O)=O)c1.Cc1ccc(C)c(CS(N)(=O)=O)c1.
What is the InChIKey of (2,5-dimethylphenyl)methanesulfonamide?
The InChIKey is PRVOUFAIADVJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H13NO2S/c2*1-7-3-4-8(2)9(5-7)6-13(10,11)12/h2*3-5H,6H2,1-2H3,(H2,10,11,12).
What are the key properties of (2,5-dimethylphenyl)methanesulfonamide?
(2,5-dimethylphenyl)methanesulfonamide has a molecular weight of 398.55 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)methanesulfonamide is sourced from PubChem (CID 69226384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).