5-amino-N-butan-2-yl-N-ethyl-2-methoxybenzenesulfonamide

C13H22N2O3S — CID 43274191

IUPAC5-amino-N-butan-2-yl-N-ethyl-2-methoxybenzenesulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)c1cc(N)ccc1OC
InChIInChI=1S/C13H22N2O3S/c1-5-10(3)15(6-2)19(16,17)13-9-11(14)7-8-12(13)18-4/h7-10H,5-6,14H2,1-4H3
InChIKeyJLDIQUZDKCMSMW-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.09
Rot. Bonds6

About 5-amino-N-butan-2-yl-N-ethyl-2-methoxybenzenesulfonamide

5-amino-N-butan-2-yl-N-ethyl-2-methoxybenzenesulfonamide (PubChem CID 43274191) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-amino-N-butan-2-yl-N-ethyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-butan-2-yl-N-ethyl-2-methoxybenzenesulfonamide
PubChem CID43274191
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name5-amino-N-butan-2-yl-N-ethyl-2-methoxybenzenesulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)c1cc(N)ccc1OC
InChIInChI=1S/C13H22N2O3S/c1-5-10(3)15(6-2)19(16,17)13-9-11(14)7-8-12(13)18-4/h7-10H,5-6,14H2,1-4H3
InChIKeyJLDIQUZDKCMSMW-UHFFFAOYSA-N
XLogP2.09
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-N-butan-2-yl-N-ethyl-2-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-(2-hydroxyethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 43577718
5-amino-2-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587371
4-amino-N-butan-2-yl-N-butyl-2-methoxybenzenesulfonamide
CID 61111653
5-amino-N-(2-cyanoethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 43577677
5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide
CID 61111850
4-amino-N-butan-2-yl-N-ethyl-3-methoxybenzenesulfonamide
CID 81438339
5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide
CID 43265424
5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide
CID 103187524
4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 55135939
5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2,3-dimethylbenzenesulfonamide
CID 61105109
5-bromo-N-(1-cyanoethyl)-N-ethyl-2-methoxybenzenesulfonamide
CID 167978214
4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 43265441

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butan-2-yl-N-ethyl-2-methoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-butan-2-yl-N-ethyl-2-methoxybenzenesulfonamide (CID 43274191) is 5-amino-N-butan-2-yl-N-ethyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-butan-2-yl-N-ethyl-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-butan-2-yl-N-ethyl-2-methoxybenzenesulfonamide is CCC(C)N(CC)S(=O)(=O)c1cc(N)ccc1OC.
What is the InChIKey of 5-amino-N-butan-2-yl-N-ethyl-2-methoxybenzenesulfonamide?
The InChIKey is JLDIQUZDKCMSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-5-10(3)15(6-2)19(16,17)13-9-11(14)7-8-12(13)18-4/h7-10H,5-6,14H2,1-4H3.
What are the key properties of 5-amino-N-butan-2-yl-N-ethyl-2-methoxybenzenesulfonamide?
5-amino-N-butan-2-yl-N-ethyl-2-methoxybenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butan-2-yl-N-ethyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 43274191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).