5-amino-2-ethyl-N-(4-methoxybutan-2-yl)benzenesulfonamide

C13H22N2O3S — CID 64602405

IUPAC5-amino-2-ethyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NC(C)CCOC
InChIInChI=1S/C13H22N2O3S/c1-4-11-5-6-12(14)9-13(11)19(16,17)15-10(2)7-8-18-3/h5-6,9-10,15H,4,7-8,14H2,1-3H3
InChIKeyXAFOECITDMQAPC-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.53
Rot. Bonds7

About 5-amino-2-ethyl-N-(4-methoxybutan-2-yl)benzenesulfonamide

5-amino-2-ethyl-N-(4-methoxybutan-2-yl)benzenesulfonamide (PubChem CID 64602405) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-amino-2-ethyl-N-(4-methoxybutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
PubChem CID64602405
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name5-amino-2-ethyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NC(C)CCOC
InChIInChI=1S/C13H22N2O3S/c1-4-11-5-6-12(14)9-13(11)19(16,17)15-10(2)7-8-18-3/h5-6,9-10,15H,4,7-8,14H2,1-3H3
InChIKeyXAFOECITDMQAPC-UHFFFAOYSA-N
XLogP1.53
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.53
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

5-amino-2-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 65206608
5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide
CID 43255687
5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081188
2-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 106067499
5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide
CID 61476241
2-hydrazinyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64605089
3-amino-4-fluoro-N-(4-methoxybutan-2-yl)-2,6-dimethylbenzenesulfonamide
CID 107325879
5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43576401
4-amino-3-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64601232
2-fluoro-1-N-(4-methoxybutan-2-yl)benzene-1,4-disulfonamide
CID 62734262
3-amino-2-bromo-5-chloro-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64600281
2-ethyl-5-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65397858

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-N-(4-methoxybutan-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethyl-N-(4-methoxybutan-2-yl)benzenesulfonamide (CID 64602405) is 5-amino-2-ethyl-N-(4-methoxybutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethyl-N-(4-methoxybutan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethyl-N-(4-methoxybutan-2-yl)benzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)NC(C)CCOC.
What is the InChIKey of 5-amino-2-ethyl-N-(4-methoxybutan-2-yl)benzenesulfonamide?
The InChIKey is XAFOECITDMQAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-4-11-5-6-12(14)9-13(11)19(16,17)15-10(2)7-8-18-3/h5-6,9-10,15H,4,7-8,14H2,1-3H3.
What are the key properties of 5-amino-2-ethyl-N-(4-methoxybutan-2-yl)benzenesulfonamide?
5-amino-2-ethyl-N-(4-methoxybutan-2-yl)benzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethyl-N-(4-methoxybutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 64602405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).