4-amino-3-(4-ethylanilino)-N-methylbenzenesulfonamide

C15H19N3O2S — CID 82899653

IUPAC4-amino-3-(4-ethylanilino)-N-methylbenzenesulfonamide
SMILESCCc1ccc(Nc2cc(S(=O)(=O)NC)ccc2N)cc1
InChIInChI=1S/C15H19N3O2S/c1-3-11-4-6-12(7-5-11)18-15-10-13(8-9-14(15)16)21(19,20)17-2/h4-10,17-18H,3,16H2,1-2H3
InChIKeyUZUDQPMDEDWAIA-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.48
Rot. Bonds5

About 4-amino-3-(4-ethylanilino)-N-methylbenzenesulfonamide

4-amino-3-(4-ethylanilino)-N-methylbenzenesulfonamide (PubChem CID 82899653) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-amino-3-(4-ethylanilino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(4-ethylanilino)-N-methylbenzenesulfonamide
PubChem CID82899653
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-amino-3-(4-ethylanilino)-N-methylbenzenesulfonamide
SMILESCCc1ccc(Nc2cc(S(=O)(=O)NC)ccc2N)cc1
InChIInChI=1S/C15H19N3O2S/c1-3-11-4-6-12(7-5-11)18-15-10-13(8-9-14(15)16)21(19,20)17-2/h4-10,17-18H,3,16H2,1-2H3
InChIKeyUZUDQPMDEDWAIA-UHFFFAOYSA-N
XLogP2.48
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(4-bromoanilino)-N-methylbenzenesulfonamide
CID 82899071
4-amino-3-(4-propylanilino)benzenesulfonamide
CID 82900056
4-amino-3-(4-chloro-3-fluoroanilino)-N-methylbenzenesulfonamide
CID 82898391
4-amino-3-(3-methoxyanilino)-N-methylbenzenesulfonamide
CID 82899659
4-amino-3-(butan-2-ylamino)-N-methylbenzenesulfonamide
CID 82899814
4-amino-3-(2-chloro-5-methylanilino)-N-methylbenzenesulfonamide
CID 107633993
4-amino-3-[(5-ethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 106007379
4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 106899228
4-amino-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylbenzenesulfonamide
CID 106183615
4-amino-N-(4-ethylphenyl)-3-methoxybenzenesulfonamide
CID 81441768
4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 82901368
N-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297821

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-ethylanilino)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(4-ethylanilino)-N-methylbenzenesulfonamide (CID 82899653) is 4-amino-3-(4-ethylanilino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(4-ethylanilino)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(4-ethylanilino)-N-methylbenzenesulfonamide is CCc1ccc(Nc2cc(S(=O)(=O)NC)ccc2N)cc1.
What is the InChIKey of 4-amino-3-(4-ethylanilino)-N-methylbenzenesulfonamide?
The InChIKey is UZUDQPMDEDWAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-11-4-6-12(7-5-11)18-15-10-13(8-9-14(15)16)21(19,20)17-2/h4-10,17-18H,3,16H2,1-2H3.
What are the key properties of 4-amino-3-(4-ethylanilino)-N-methylbenzenesulfonamide?
4-amino-3-(4-ethylanilino)-N-methylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-ethylanilino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 82899653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).