N-(4-aminophenyl)-N-ethyl-2,5-dimethylbenzenesulfonamide

C16H20N2O2S — CID 63234087

IUPACN-(4-aminophenyl)-N-ethyl-2,5-dimethylbenzenesulfonamide
SMILESCCN(c1ccc(N)cc1)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C16H20N2O2S/c1-4-18(15-9-7-14(17)8-10-15)21(19,20)16-11-12(2)5-6-13(16)3/h5-11H,4,17H2,1-3H3
InChIKeyBBAZQZSTRNBZHM-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.10
Rot. Bonds4

About N-(4-aminophenyl)-N-ethyl-2,5-dimethylbenzenesulfonamide

N-(4-aminophenyl)-N-ethyl-2,5-dimethylbenzenesulfonamide (PubChem CID 63234087) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-ethyl-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-ethyl-2,5-dimethylbenzenesulfonamide
PubChem CID63234087
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-(4-aminophenyl)-N-ethyl-2,5-dimethylbenzenesulfonamide
SMILESCCN(c1ccc(N)cc1)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C16H20N2O2S/c1-4-18(15-9-7-14(17)8-10-15)21(19,20)16-11-12(2)5-6-13(16)3/h5-11H,4,17H2,1-3H3
InChIKeyBBAZQZSTRNBZHM-UHFFFAOYSA-N
XLogP3.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-chloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide
CID 62001633
N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide
CID 63233568
N-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 63233869
N-(3-amino-4-methylphenyl)-N-ethyl-2-methylbenzenesulfonamide
CID 39433103
N-(4-aminophenyl)-2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 63233523
5-amino-N,N-diethyl-2-methylbenzenesulfonamide
CID 3643281
N-(4-aminophenyl)-N-ethylethanesulfonamide
CID 63233742
N-(4-aminophenyl)-4-bromo-N-ethylbenzenesulfonamide
CID 63233827
N-(4-aminocyclohexyl)-N-ethyl-2,5-dimethylbenzenesulfonamide
CID 79113665
ethyl 2-[4-[(2,5-dimethylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]phenyl]acetate
CID 15997900
N-(4-aminophenyl)-N-ethylpropane-2-sulfonamide
CID 63233825
N-(4-methoxyphenyl)-2,5-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 4792892

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-ethyl-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-aminophenyl)-N-ethyl-2,5-dimethylbenzenesulfonamide (CID 63234087) is N-(4-aminophenyl)-N-ethyl-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-N-ethyl-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-aminophenyl)-N-ethyl-2,5-dimethylbenzenesulfonamide is CCN(c1ccc(N)cc1)S(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N-(4-aminophenyl)-N-ethyl-2,5-dimethylbenzenesulfonamide?
The InChIKey is BBAZQZSTRNBZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-18(15-9-7-14(17)8-10-15)21(19,20)16-11-12(2)5-6-13(16)3/h5-11H,4,17H2,1-3H3.
What are the key properties of N-(4-aminophenyl)-N-ethyl-2,5-dimethylbenzenesulfonamide?
N-(4-aminophenyl)-N-ethyl-2,5-dimethylbenzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-ethyl-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 63234087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).