3-amino-N,N-diethyl-4-(ethylamino)benzenesulfonamide

C12H21N3O2S — CID 3781296

IUPAC3-amino-N,N-diethyl-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1N
InChIInChI=1S/C12H21N3O2S/c1-4-14-12-8-7-10(9-11(12)13)18(16,17)15(5-2)6-3/h7-9,14H,4-6,13H2,1-3H3
InChIKeyIDDMVWHKXNLQMC-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.73
Rot. Bonds6

About 3-amino-N,N-diethyl-4-(ethylamino)benzenesulfonamide

3-amino-N,N-diethyl-4-(ethylamino)benzenesulfonamide (PubChem CID 3781296) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-amino-N,N-diethyl-4-(ethylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,N-diethyl-4-(ethylamino)benzenesulfonamide
PubChem CID3781296
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name3-amino-N,N-diethyl-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1N
InChIInChI=1S/C12H21N3O2S/c1-4-14-12-8-7-10(9-11(12)13)18(16,17)15(5-2)6-3/h7-9,14H,4-6,13H2,1-3H3
InChIKeyIDDMVWHKXNLQMC-UHFFFAOYSA-N
XLogP1.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-diethyl-4-(ethylamino)benzenesulfonamide?
The IUPAC name of 3-amino-N,N-diethyl-4-(ethylamino)benzenesulfonamide (CID 3781296) is 3-amino-N,N-diethyl-4-(ethylamino)benzenesulfonamide.
What is the SMILES notation for 3-amino-N,N-diethyl-4-(ethylamino)benzenesulfonamide?
The canonical SMILES for 3-amino-N,N-diethyl-4-(ethylamino)benzenesulfonamide is CCNc1ccc(S(=O)(=O)N(CC)CC)cc1N.
What is the InChIKey of 3-amino-N,N-diethyl-4-(ethylamino)benzenesulfonamide?
The InChIKey is IDDMVWHKXNLQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-14-12-8-7-10(9-11(12)13)18(16,17)15(5-2)6-3/h7-9,14H,4-6,13H2,1-3H3.
What are the key properties of 3-amino-N,N-diethyl-4-(ethylamino)benzenesulfonamide?
3-amino-N,N-diethyl-4-(ethylamino)benzenesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-diethyl-4-(ethylamino)benzenesulfonamide is sourced from PubChem (CID 3781296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).