4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide

C13H22N2O2S — CID 62143037

IUPAC4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NC(C)C(C)C)cc1
InChIInChI=1S/C13H22N2O2S/c1-5-14-12-6-8-13(9-7-12)18(16,17)15-11(4)10(2)3/h6-11,14-15H,5H2,1-4H3
InChIKeyJUEYMJAEMCWWKS-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.44
Rot. Bonds6

About 4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide

4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 62143037) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide
PubChem CID62143037
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NC(C)C(C)C)cc1
InChIInChI=1S/C13H22N2O2S/c1-5-14-12-6-8-13(9-7-12)18(16,17)15-11(4)10(2)3/h6-11,14-15H,5H2,1-4H3
InChIKeyJUEYMJAEMCWWKS-UHFFFAOYSA-N
XLogP2.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydrazinyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43455143
4-(ethylamino)-N-hexan-2-ylbenzenesulfonamide
CID 62200099
4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907908
4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 42999390
4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide
CID 62149672
N-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide
CID 63837919
N-(1-cyclopropylpropan-2-yl)-4-(ethylamino)benzenesulfonamide
CID 63996191
N-(3-ethylpentan-2-yl)-4-(methylamino)benzenesulfonamide
CID 63836615
4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride
CID 43131428
4-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 62147659
4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 60823404
4-(ethylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283457

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide (CID 62143037) is 4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide is CCNc1ccc(S(=O)(=O)NC(C)C(C)C)cc1.
What is the InChIKey of 4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is JUEYMJAEMCWWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-14-12-6-8-13(9-7-12)18(16,17)15-11(4)10(2)3/h6-11,14-15H,5H2,1-4H3.
What are the key properties of 4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide?
4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 62143037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).