4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide

C18H25N3O2S — CID 110454407

IUPAC4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C18H25N3O2S/c1-3-21(4-2)14-13-20-24(22,23)18-11-7-16(8-12-18)15-5-9-17(19)10-6-15/h5-12,20H,3-4,13-14,19H2,1-2H3
InChIKeyBRVQXWOLRJNNRL-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.56
Rot. Bonds8

About 4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide

4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide (PubChem CID 110454407) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide
PubChem CID110454407
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C18H25N3O2S/c1-3-21(4-2)14-13-20-24(22,23)18-11-7-16(8-12-18)15-5-9-17(19)10-6-15/h5-12,20H,3-4,13-14,19H2,1-2H3
InChIKeyBRVQXWOLRJNNRL-UHFFFAOYSA-N
XLogP2.56
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.56
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

4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716590
N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide
CID 43332072
4-amino-N-[3-[decyl-[3-(diethylamino)propyl]amino]propyl]benzenesulfonamide
CID 154196449
4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride
CID 2998823
4-amino-N-(2-bromoethyl)benzenesulfonamide
CID 125484136
4-(2-aminoethoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106034374
5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide
CID 43255855
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62975510
4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43545911
3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106545043
N-[2-(diethylamino)ethyl]naphthalene-2-sulfonamide
CID 8716562
N-[2-[2-aminoethyl-[2-[bis[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide
CID 88938847

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide (CID 110454407) is 4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1ccc(-c2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The InChIKey is BRVQXWOLRJNNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-3-21(4-2)14-13-20-24(22,23)18-11-7-16(8-12-18)15-5-9-17(19)10-6-15/h5-12,20H,3-4,13-14,19H2,1-2H3.
What are the key properties of 4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide?
4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide has a molecular weight of 347.48 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 110454407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).