4-amino-3-(N-ethyl-4-methylanilino)benzenesulfonamide

C15H19N3O2S — CID 82900395

IUPAC4-amino-3-(N-ethyl-4-methylanilino)benzenesulfonamide
SMILESCCN(c1ccc(C)cc1)c1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C15H19N3O2S/c1-3-18(12-6-4-11(2)5-7-12)15-10-13(21(17,19)20)8-9-14(15)16/h4-10H,3,16H2,1-2H3,(H2,17,19,20)
InChIKeyZEGRPWQYBBPOLR-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.38
Rot. Bonds4

About 4-amino-3-(N-ethyl-4-methylanilino)benzenesulfonamide

4-amino-3-(N-ethyl-4-methylanilino)benzenesulfonamide (PubChem CID 82900395) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-amino-3-(N-ethyl-4-methylanilino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(N-ethyl-4-methylanilino)benzenesulfonamide
PubChem CID82900395
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-amino-3-(N-ethyl-4-methylanilino)benzenesulfonamide
SMILESCCN(c1ccc(C)cc1)c1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C15H19N3O2S/c1-3-18(12-6-4-11(2)5-7-12)15-10-13(21(17,19)20)8-9-14(15)16/h4-10H,3,16H2,1-2H3,(H2,17,19,20)
InChIKeyZEGRPWQYBBPOLR-UHFFFAOYSA-N
XLogP2.38
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-(N-ethyl-4-methylanilino)benzenesulfonamide
CID 62003383
4-amino-3-[butan-2-yl(ethyl)amino]benzenesulfonamide
CID 82907155
4-amino-3-[cyclopropyl(ethyl)amino]benzenesulfonamide
CID 82907914
3-N-ethyl-2-methyl-3-N-(4-methylphenyl)benzene-1,3-diamine
CID 63062743
1-N-ethyl-2-methyl-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 62003547
4-amino-3-[2-cyanopropyl(ethyl)amino]benzenesulfonamide
CID 82907016
4-amino-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]benzenesulfonamide
CID 82900255
methane;4-methylbenzenesulfonamide
CID 66673954
bis(4-methylbenzenesulfonamide);selane
CID 173300479
4-amino-3-[butan-2-yl(butyl)amino]benzenesulfonamide
CID 82907017
6-chloro-2-N-ethyl-2-N-(4-methylphenyl)pyridine-2,3-diamine
CID 115474047
1-N-ethyl-4-methylsulfonyl-1-N-phenylbenzene-1,2-diamine
CID 43447936

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(N-ethyl-4-methylanilino)benzenesulfonamide?
The IUPAC name of 4-amino-3-(N-ethyl-4-methylanilino)benzenesulfonamide (CID 82900395) is 4-amino-3-(N-ethyl-4-methylanilino)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(N-ethyl-4-methylanilino)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(N-ethyl-4-methylanilino)benzenesulfonamide is CCN(c1ccc(C)cc1)c1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-3-(N-ethyl-4-methylanilino)benzenesulfonamide?
The InChIKey is ZEGRPWQYBBPOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-18(12-6-4-11(2)5-7-12)15-10-13(21(17,19)20)8-9-14(15)16/h4-10H,3,16H2,1-2H3,(H2,17,19,20).
What are the key properties of 4-amino-3-(N-ethyl-4-methylanilino)benzenesulfonamide?
4-amino-3-(N-ethyl-4-methylanilino)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(N-ethyl-4-methylanilino)benzenesulfonamide is sourced from PubChem (CID 82900395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).