4-amino-3-(2-ethylhexylamino)-N-methylbenzenesulfonamide

C15H27N3O2S — CID 107819850

IUPAC4-amino-3-(2-ethylhexylamino)-N-methylbenzenesulfonamide
SMILESCCCCC(CC)CNc1cc(S(=O)(=O)NC)ccc1N
InChIInChI=1S/C15H27N3O2S/c1-4-6-7-12(5-2)11-18-15-10-13(8-9-14(15)16)21(19,20)17-3/h8-10,12,17-18H,4-7,11,16H2,1-3H3
InChIKeyGOXPFRDQSAOMRY-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.81
Rot. Bonds9

About 4-amino-3-(2-ethylhexylamino)-N-methylbenzenesulfonamide

4-amino-3-(2-ethylhexylamino)-N-methylbenzenesulfonamide (PubChem CID 107819850) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 4-amino-3-(2-ethylhexylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(2-ethylhexylamino)-N-methylbenzenesulfonamide
PubChem CID107819850
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name4-amino-3-(2-ethylhexylamino)-N-methylbenzenesulfonamide
SMILESCCCCC(CC)CNc1cc(S(=O)(=O)NC)ccc1N
InChIInChI=1S/C15H27N3O2S/c1-4-6-7-12(5-2)11-18-15-10-13(8-9-14(15)16)21(19,20)17-3/h8-10,12,17-18H,4-7,11,16H2,1-3H3
InChIKeyGOXPFRDQSAOMRY-UHFFFAOYSA-N
XLogP2.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide
CID 82902466
4-amino-N-methyl-3-(octan-4-ylamino)benzenesulfonamide
CID 106022586
4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine
CID 114004564
4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide
CID 107819740
4-amino-3-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82902467
3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide
CID 107816800
4-amino-3-(butan-2-ylamino)-N-methylbenzenesulfonamide
CID 82899814
4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide
CID 107819726
3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide
CID 106166710
5-amino-2-(2-ethylhexylamino)benzenesulfonamide
CID 107819806
4-amino-N-methyl-3-(3-sulfamoylpropylamino)benzenesulfonamide
CID 82900018
4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide
CID 82898084

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-ethylhexylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(2-ethylhexylamino)-N-methylbenzenesulfonamide (CID 107819850) is 4-amino-3-(2-ethylhexylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(2-ethylhexylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(2-ethylhexylamino)-N-methylbenzenesulfonamide is CCCCC(CC)CNc1cc(S(=O)(=O)NC)ccc1N.
What is the InChIKey of 4-amino-3-(2-ethylhexylamino)-N-methylbenzenesulfonamide?
The InChIKey is GOXPFRDQSAOMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-4-6-7-12(5-2)11-18-15-10-13(8-9-14(15)16)21(19,20)17-3/h8-10,12,17-18H,4-7,11,16H2,1-3H3.
What are the key properties of 4-amino-3-(2-ethylhexylamino)-N-methylbenzenesulfonamide?
4-amino-3-(2-ethylhexylamino)-N-methylbenzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.81, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-ethylhexylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 107819850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).