(2,4-dimethylphenyl)methanesulfonamide

C9H13NO2S — CID 59964487

IUPAC(2,4-dimethylphenyl)methanesulfonamide
SMILESCc1ccc(CS(N)(=O)=O)c(C)c1
InChIInChI=1S/C9H13NO2S/c1-7-3-4-9(8(2)5-7)6-13(10,11)12/h3-5H,6H2,1-2H3,(H2,10,11,12)
InChIKeySTMXWWVAWAONFA-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.09
Rot. Bonds2

About (2,4-dimethylphenyl)methanesulfonamide

(2,4-dimethylphenyl)methanesulfonamide (PubChem CID 59964487) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is (2,4-dimethylphenyl)methanesulfonamide.

Molecular Properties

Compound Name(2,4-dimethylphenyl)methanesulfonamide
PubChem CID59964487
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name(2,4-dimethylphenyl)methanesulfonamide
SMILESCc1ccc(CS(N)(=O)=O)c(C)c1
InChIInChI=1S/C9H13NO2S/c1-7-3-4-9(8(2)5-7)6-13(10,11)12/h3-5H,6H2,1-2H3,(H2,10,11,12)
InChIKeySTMXWWVAWAONFA-UHFFFAOYSA-N
XLogP1.09
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylphenyl)methanesulfonamide
CID 69226384
(2-methylphenyl)methanesulfonamide;hydrochloride
CID 70129297
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
(2,4-dimethylphenyl)methanamine;propane
CID 143780972
N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide
CID 47429985
2-(2,4-dimethylphenyl)ethanethioamide
CID 82075040
(2,4-dibromophenyl)methanesulfonamide
CID 107944156
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
[1-[2-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681596
(2-bromo-4-chlorophenyl)methanesulfonamide
CID 71683198
[5-hydroxy-4-(methanesulfonamido)-2-methylphenyl]methanesulfonamide
CID 123527984
2-[2-(2,4-dimethylphenyl)ethylsulfonyl]acetic acid
CID 82159791

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)methanesulfonamide?
The IUPAC name of (2,4-dimethylphenyl)methanesulfonamide (CID 59964487) is (2,4-dimethylphenyl)methanesulfonamide.
What is the SMILES notation for (2,4-dimethylphenyl)methanesulfonamide?
The canonical SMILES for (2,4-dimethylphenyl)methanesulfonamide is Cc1ccc(CS(N)(=O)=O)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)methanesulfonamide?
The InChIKey is STMXWWVAWAONFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7-3-4-9(8(2)5-7)6-13(10,11)12/h3-5H,6H2,1-2H3,(H2,10,11,12).
What are the key properties of (2,4-dimethylphenyl)methanesulfonamide?
(2,4-dimethylphenyl)methanesulfonamide has a molecular weight of 199.28 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)methanesulfonamide is sourced from PubChem (CID 59964487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).