2-amino-N-methyl-4-(octylamino)benzenesulfonamide

C15H27N3O2S — CID 115566200

IUPAC2-amino-N-methyl-4-(octylamino)benzenesulfonamide
SMILESCCCCCCCCNc1ccc(S(=O)(=O)NC)c(N)c1
InChIInChI=1S/C15H27N3O2S/c1-3-4-5-6-7-8-11-18-13-9-10-15(14(16)12-13)21(19,20)17-2/h9-10,12,17-18H,3-8,11,16H2,1-2H3
InChIKeyZVZDRGQIOSPSIL-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.95
Rot. Bonds10

About 2-amino-N-methyl-4-(octylamino)benzenesulfonamide

2-amino-N-methyl-4-(octylamino)benzenesulfonamide (PubChem CID 115566200) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-amino-N-methyl-4-(octylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-(octylamino)benzenesulfonamide
PubChem CID115566200
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name2-amino-N-methyl-4-(octylamino)benzenesulfonamide
SMILESCCCCCCCCNc1ccc(S(=O)(=O)NC)c(N)c1
InChIInChI=1S/C15H27N3O2S/c1-3-4-5-6-7-8-11-18-13-9-10-15(14(16)12-13)21(19,20)17-2/h9-10,12,17-18H,3-8,11,16H2,1-2H3
InChIKeyZVZDRGQIOSPSIL-UHFFFAOYSA-N
XLogP2.95
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 80645934
2-amino-N-methyl-4-(3-propoxypropylamino)benzenesulfonamide
CID 82942729
2-amino-4-(4-methoxybutylamino)-N-methylbenzenesulfonamide
CID 80646158
2-amino-N-methyl-4-(2-sulfamoylethylamino)benzenesulfonamide
CID 80645656
2-amino-4-(3-cyclopentylpropylamino)-N-methylbenzenesulfonamide
CID 106007200
2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate
CID 83202387
2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 80646367
2-amino-4-(hexan-3-ylamino)-N-methylbenzenesulfonamide
CID 80645596
1-[2-amino-4-(decylamino)phenyl]ethanone
CID 104529025
2-amino-4-(3-fluoro-4-methylanilino)-N-methylbenzenesulfonamide
CID 80642093
2-methyl-5-(pentylamino)benzenesulfonamide
CID 28653503
2-amino-4-(octylamino)benzonitrile
CID 115566143

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-(octylamino)benzenesulfonamide?
The IUPAC name of 2-amino-N-methyl-4-(octylamino)benzenesulfonamide (CID 115566200) is 2-amino-N-methyl-4-(octylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-4-(octylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-N-methyl-4-(octylamino)benzenesulfonamide is CCCCCCCCNc1ccc(S(=O)(=O)NC)c(N)c1.
What is the InChIKey of 2-amino-N-methyl-4-(octylamino)benzenesulfonamide?
The InChIKey is ZVZDRGQIOSPSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-3-4-5-6-7-8-11-18-13-9-10-15(14(16)12-13)21(19,20)17-2/h9-10,12,17-18H,3-8,11,16H2,1-2H3.
What are the key properties of 2-amino-N-methyl-4-(octylamino)benzenesulfonamide?
2-amino-N-methyl-4-(octylamino)benzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.95, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-(octylamino)benzenesulfonamide is sourced from PubChem (CID 115566200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).