4-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide

C13H23N3O2S — CID 62640211

IUPAC4-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCCN(C)CC)cc1
InChIInChI=1S/C13H23N3O2S/c1-4-14-12-6-8-13(9-7-12)19(17,18)15-10-11-16(3)5-2/h6-9,14-15H,4-5,10-11H2,1-3H3
InChIKeyZKIVHWDTBZMCDC-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.35
Rot. Bonds8

About 4-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide

4-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide (PubChem CID 62640211) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
PubChem CID62640211
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name4-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCCN(C)CC)cc1
InChIInChI=1S/C13H23N3O2S/c1-4-14-12-6-8-13(9-7-12)19(17,18)15-10-11-16(3)5-2/h6-9,14-15H,4-5,10-11H2,1-3H3
InChIKeyZKIVHWDTBZMCDC-UHFFFAOYSA-N
XLogP1.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 10540463
6-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 62640395
N-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 11000205
N'-ethyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
CID 62642355
4-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide
CID 62640164
4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 43454080
4-(ethylamino)-N-(4-methylpentyl)benzenesulfonamide
CID 63002794
N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide
CID 43332072
4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 43453969
4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide
CID 62149672
4-iodo-N-[2-[methyl(propyl)amino]ethyl]benzenesulfonamide
CID 130349628
4-(ethylamino)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 62641660

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide (CID 62640211) is 4-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide is CCNc1ccc(S(=O)(=O)NCCN(C)CC)cc1.
What is the InChIKey of 4-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide?
The InChIKey is ZKIVHWDTBZMCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-14-12-6-8-13(9-7-12)19(17,18)15-10-11-16(3)5-2/h6-9,14-15H,4-5,10-11H2,1-3H3.
What are the key properties of 4-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide?
4-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 62640211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).