4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride

C14H25ClN2O2S — CID 119973417

IUPAC4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1ccc(C(C)CC)cc1.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-4-12(3)13-6-8-14(9-7-13)19(17,18)16-11-10-15-5-2;/h6-9,12,15-16H,4-5,10-11H2,1-3H3;1H
InChIKeySKTUTRUFZBAWCJ-UHFFFAOYSA-N
MW320.89 g/mol
LogP2.51
Rot. Bonds8

About 4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride

4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 119973417) has the molecular formula C14H25ClN2O2S and a molecular weight of 320.89 g/mol. Its IUPAC name is 4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
PubChem CID119973417
Molecular FormulaC14H25ClN2O2S
Molecular Weight320.89 g/mol
Exact Mass320.13
IUPAC Name4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1ccc(C(C)CC)cc1.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-4-12(3)13-6-8-14(9-7-13)19(17,18)16-11-10-15-5-2;/h6-9,12,15-16H,4-5,10-11H2,1-3H3;1H
InChIKeySKTUTRUFZBAWCJ-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119973798
4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717880
4-butan-2-yl-N-(2-chloroethyl)benzenesulfonamide
CID 162435605
N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride
CID 119987953
N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 62663335
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide
CID 63733152
N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide
CID 119973884
4-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 143457102
1-N-[2-(ethylamino)ethyl]-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119973745
N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide;hydrochloride
CID 119973477
N-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide
CID 2566445

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride (CID 119973417) is 4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride is CCNCCNS(=O)(=O)c1ccc(C(C)CC)cc1.Cl.
What is the InChIKey of 4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is SKTUTRUFZBAWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S.ClH/c1-4-12(3)13-6-8-14(9-7-13)19(17,18)16-11-10-15-5-2;/h6-9,12,15-16H,4-5,10-11H2,1-3H3;1H.
What are the key properties of 4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride?
4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 320.89 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119973417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).