3-amino-N-dodecyl-4-methoxybenzenesulfonamide

C19H34N2O3S — CID 3399543

IUPAC3-amino-N-dodecyl-4-methoxybenzenesulfonamide
SMILESCCCCCCCCCCCCNS(=O)(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C19H34N2O3S/c1-3-4-5-6-7-8-9-10-11-12-15-21-25(22,23)17-13-14-19(24-2)18(20)16-17/h13-14,16,21H,3-12,15,20H2,1-2H3
InChIKeyOGRYMSNEVYPQJE-UHFFFAOYSA-N
MW370.56 g/mol
LogP4.48
Rot. Bonds14

About 3-amino-N-dodecyl-4-methoxybenzenesulfonamide

3-amino-N-dodecyl-4-methoxybenzenesulfonamide (PubChem CID 3399543) has the molecular formula C19H34N2O3S and a molecular weight of 370.56 g/mol. Its IUPAC name is 3-amino-N-dodecyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-dodecyl-4-methoxybenzenesulfonamide
PubChem CID3399543
Molecular FormulaC19H34N2O3S
Molecular Weight370.56 g/mol
Exact Mass370.23
IUPAC Name3-amino-N-dodecyl-4-methoxybenzenesulfonamide
SMILESCCCCCCCCCCCCNS(=O)(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C19H34N2O3S/c1-3-4-5-6-7-8-9-10-11-12-15-21-25(22,23)17-13-14-19(24-2)18(20)16-17/h13-14,16,21H,3-12,15,20H2,1-2H3
InChIKeyOGRYMSNEVYPQJE-UHFFFAOYSA-N
XLogP4.48
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.48
H-Bond Donors ≤ 52
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

3-amino-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide
CID 107843502
3-amino-4-chloro-N-dodecylbenzenesulfonamide
CID 5086420
4-methoxy-N-pentyl-3-propan-2-ylbenzenesulfonamide
CID 9173546
3-amino-4-hydroxy-N-pentylbenzenesulfonamide
CID 29051411
N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide
CID 8777676
methyl 3-[(3-amino-4-methoxyphenyl)sulfonylamino]propanoate
CID 43665935
4-amino-3-chloro-N-pentylbenzenesulfonamide
CID 115329349
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161
4-amino-N-[4-(dimethylamino)butyl]-3-methoxybenzenesulfonamide
CID 81438619
3-amino-N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-methoxybenzenesulfonamide
CID 4191630
3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758508
4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide
CID 106333246

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-dodecyl-4-methoxybenzenesulfonamide?
The IUPAC name of 3-amino-N-dodecyl-4-methoxybenzenesulfonamide (CID 3399543) is 3-amino-N-dodecyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-dodecyl-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-dodecyl-4-methoxybenzenesulfonamide is CCCCCCCCCCCCNS(=O)(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of 3-amino-N-dodecyl-4-methoxybenzenesulfonamide?
The InChIKey is OGRYMSNEVYPQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3S/c1-3-4-5-6-7-8-9-10-11-12-15-21-25(22,23)17-13-14-19(24-2)18(20)16-17/h13-14,16,21H,3-12,15,20H2,1-2H3.
What are the key properties of 3-amino-N-dodecyl-4-methoxybenzenesulfonamide?
3-amino-N-dodecyl-4-methoxybenzenesulfonamide has a molecular weight of 370.56 g/mol, XLogP of 4.48, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-dodecyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 3399543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).