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

C11H16N2O2S — CID 104757256

IUPACN-(5-amino-2,4-dimethylphenyl)cyclopropanesulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)C2CC2)cc1N
InChIInChI=1S/C11H16N2O2S/c1-7-5-8(2)11(6-10(7)12)13-16(14,15)9-3-4-9/h5-6,9,13H,3-4,12H2,1-2H3
InChIKeyMLZMXDCIFKCAHO-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.79
Rot. Bonds3

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

N-(5-amino-2,4-dimethylphenyl)cyclopropanesulfonamide (PubChem CID 104757256) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(5-amino-2,4-dimethylphenyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2,4-dimethylphenyl)cyclopropanesulfonamide
PubChem CID104757256
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(5-amino-2,4-dimethylphenyl)cyclopropanesulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)C2CC2)cc1N
InChIInChI=1S/C11H16N2O2S/c1-7-5-8(2)11(6-10(7)12)13-16(14,15)9-3-4-9/h5-6,9,13H,3-4,12H2,1-2H3
InChIKeyMLZMXDCIFKCAHO-UHFFFAOYSA-N
XLogP1.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.79
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

N-(5-amino-2-methylphenyl)methanesulfonamide
CID 2774210
N-(5-amino-2-methylphenyl)benzenesulfonamide
CID 856137
1-(4-Aminophenyl)methanesulfonamide
CID 10821407
N-(2,4,6-trimethylphenyl)ethanesulfonamide
CID 843318
N-(2,4,6-trimethylphenyl)methanesulfonamide
CID 873840
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
4-Amino-N-methylbenzenemethanesulfonamide
CID 2778131
(2-Aminophenyl)methanesulfonamide
CID 13266254
N-(2,4-dimethylphenyl)methanesulfonamide
CID 668803
2-(4-Amino-phenyl)-ethanesulfonic acid amide
CID 2337425
N-(4-methylphenyl)ethanesulfonamide
CID 836012
N-(3-amino-2-methylphenyl)propane-1-sulfonamide
CID 16777695

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-dimethylphenyl)cyclopropanesulfonamide?
The IUPAC name of N-(5-amino-2,4-dimethylphenyl)cyclopropanesulfonamide (CID 104757256) is N-(5-amino-2,4-dimethylphenyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(5-amino-2,4-dimethylphenyl)cyclopropanesulfonamide?
The canonical SMILES for N-(5-amino-2,4-dimethylphenyl)cyclopropanesulfonamide is Cc1cc(C)c(NS(=O)(=O)C2CC2)cc1N.
What is the InChIKey of N-(5-amino-2,4-dimethylphenyl)cyclopropanesulfonamide?
The InChIKey is MLZMXDCIFKCAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-7-5-8(2)11(6-10(7)12)13-16(14,15)9-3-4-9/h5-6,9,13H,3-4,12H2,1-2H3.
What are the key properties of N-(5-amino-2,4-dimethylphenyl)cyclopropanesulfonamide?
N-(5-amino-2,4-dimethylphenyl)cyclopropanesulfonamide has a molecular weight of 240.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,4-dimethylphenyl)cyclopropanesulfonamide is sourced from PubChem (CID 104757256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).