4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide

C15H26N2O3S — CID 107819726

IUPAC4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C15H26N2O3S/c1-4-6-7-12(5-2)11-17-21(18,19)13-8-9-14(16)15(10-13)20-3/h8-10,12,17H,4-7,11,16H2,1-3H3
InChIKeyANYJOKPRGMPGPE-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.77
Rot. Bonds9

About 4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide

4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide (PubChem CID 107819726) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide
PubChem CID107819726
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C15H26N2O3S/c1-4-6-7-12(5-2)11-17-21(18,19)13-8-9-14(16)15(10-13)20-3/h8-10,12,17H,4-7,11,16H2,1-3H3
InChIKeyANYJOKPRGMPGPE-UHFFFAOYSA-N
XLogP2.77
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.77
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

4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide
CID 107819740
3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide
CID 107816800
4-amino-3-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113466249
N-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide
CID 19681648
4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107816801
4-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxybenzenesulfonamide
CID 81438556
N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide
CID 42955218
3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107818703
4-amino-N-(2-hydroxy-4-methylpentyl)-3-methoxybenzenesulfonamide
CID 107150845
4-amino-3-(2-ethylhexylamino)-N-methylbenzenesulfonamide
CID 107819850
N-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 115613367
N-[(2S)-2-ethylhexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 35396653

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide (CID 107819726) is 4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide is CCCCC(CC)CNS(=O)(=O)c1ccc(N)c(OC)c1.
What is the InChIKey of 4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide?
The InChIKey is ANYJOKPRGMPGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-6-7-12(5-2)11-17-21(18,19)13-8-9-14(16)15(10-13)20-3/h8-10,12,17H,4-7,11,16H2,1-3H3.
What are the key properties of 4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide?
4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 107819726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).