N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide

C16H20N2O2S — CID 28715386

IUPACN-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C16H20N2O2S/c1-12-4-9-16(13(2)10-12)18-21(19,20)15-7-5-14(6-8-15)11-17-3/h4-10,17-18H,11H2,1-3H3
InChIKeyBTRWQYFBOWHZDV-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.82
Rot. Bonds5

About N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide

N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 28715386) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide
PubChem CID28715386
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C16H20N2O2S/c1-12-4-9-16(13(2)10-12)18-21(19,20)15-7-5-14(6-8-15)11-17-3/h4-10,17-18H,11H2,1-3H3
InChIKeyBTRWQYFBOWHZDV-UHFFFAOYSA-N
XLogP2.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]ethyl]acetamide
CID 94618182
N-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507393
4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide
CID 1312782
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
N-(2,4-dimethylphenyl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2711951
N-(3-bromo-5-methylphenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107584266
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide
CID 1101866
N-(4-bromo-2-methylphenyl)-4-(cyanomethyl)benzenesulfonamide
CID 79186001
4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 2840601
N-[(4-methoxyphenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062773

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide (CID 28715386) is N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is BTRWQYFBOWHZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-4-9-16(13(2)10-12)18-21(19,20)15-7-5-14(6-8-15)11-17-3/h4-10,17-18H,11H2,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide?
N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 28715386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).