5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide

C14H24N2O2S — CID 61114748

IUPAC5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)N(C)CCC(C)C
InChIInChI=1S/C14H24N2O2S/c1-5-12-6-7-13(15)10-14(12)19(17,18)16(4)9-8-11(2)3/h6-7,10-11H,5,8-9,15H2,1-4H3
InChIKeyLMBHDKFNJGRCGI-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.50
Rot. Bonds6

About 5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide

5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 61114748) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide
PubChem CID61114748
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)N(C)CCC(C)C
InChIInChI=1S/C14H24N2O2S/c1-5-12-6-7-13(15)10-14(12)19(17,18)16(4)9-8-11(2)3/h6-7,10-11H,5,8-9,15H2,1-4H3
InChIKeyLMBHDKFNJGRCGI-UHFFFAOYSA-N
XLogP2.50
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333305
5-amino-2-ethoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61428651
5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587392
4-amino-2-[methyl(3-methylbutyl)sulfamoyl]benzoic acid
CID 102931062
5-amino-2-ethyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113498553
5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide
CID 43256238
5-amino-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 65020963
5-amino-N,N,2-triethylbenzenesulfonamide
CID 43255626
5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271671
2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61113994
5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide
CID 43266863
3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114369

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide (CID 61114748) is 5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)N(C)CCC(C)C.
What is the InChIKey of 5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is LMBHDKFNJGRCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-12-6-7-13(15)10-14(12)19(17,18)16(4)9-8-11(2)3/h6-7,10-11H,5,8-9,15H2,1-4H3.
What are the key properties of 5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide?
5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 61114748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).