N-(4-amino-2,5-dimethylphenyl)methanesulfonamide

C9H14N2O2S — CID 103144685

IUPACN-(4-amino-2,5-dimethylphenyl)methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)c(C)cc1N
InChIInChI=1S/C9H14N2O2S/c1-6-5-9(11-14(3,12)13)7(2)4-8(6)10/h4-5,11H,10H2,1-3H3
InChIKeyCZIPJTYLBZONJB-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.26
Rot. Bonds2

About N-(4-amino-2,5-dimethylphenyl)methanesulfonamide

N-(4-amino-2,5-dimethylphenyl)methanesulfonamide (PubChem CID 103144685) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethylphenyl)methanesulfonamide
PubChem CID103144685
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-(4-amino-2,5-dimethylphenyl)methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)c(C)cc1N
InChIInChI=1S/C9H14N2O2S/c1-6-5-9(11-14(3,12)13)7(2)4-8(6)10/h4-5,11H,10H2,1-3H3
InChIKeyCZIPJTYLBZONJB-UHFFFAOYSA-N
XLogP1.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,5-Diaminotoluene
CID 7252
2,5-Dimethylaniline
CID 7259
2,5-Diaminotoluene sulfate
CID 22856
2,5-Dimethyl-p-phenylenediamine
CID 160824
N-(4-Methylphenyl)methanesulfonamide
CID 835475
N-(2,5-Dimethylphenyl)benzenesulfonamide
CID 577858
N-(5-amino-2-methylphenyl)methanesulfonamide
CID 2774210
N-(2,3-dimethylphenyl)methanesulfonamide
CID 669019
2'-Methyl-4'-nitromethanesulfonanilide
CID 3113422
N-(2,6-dimethylphenyl)methanesulfonamide
CID 686475
N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 594873
(4-Azaniumyl-2-methylphenyl)azanium;sulfate
CID 12106252

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethylphenyl)methanesulfonamide?
The IUPAC name of N-(4-amino-2,5-dimethylphenyl)methanesulfonamide (CID 103144685) is N-(4-amino-2,5-dimethylphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-amino-2,5-dimethylphenyl)methanesulfonamide?
The canonical SMILES for N-(4-amino-2,5-dimethylphenyl)methanesulfonamide is Cc1cc(NS(C)(=O)=O)c(C)cc1N.
What is the InChIKey of N-(4-amino-2,5-dimethylphenyl)methanesulfonamide?
The InChIKey is CZIPJTYLBZONJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6-5-9(11-14(3,12)13)7(2)4-8(6)10/h4-5,11H,10H2,1-3H3.
What are the key properties of N-(4-amino-2,5-dimethylphenyl)methanesulfonamide?
N-(4-amino-2,5-dimethylphenyl)methanesulfonamide has a molecular weight of 214.29 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,5-dimethylphenyl)methanesulfonamide is sourced from PubChem (CID 103144685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).