3-amino-2-dodecyl-4-methoxybenzenesulfonamide

C19H34N2O3S — CID 174507939

IUPAC3-amino-2-dodecyl-4-methoxybenzenesulfonamide
SMILESCCCCCCCCCCCCc1c(S(N)(=O)=O)ccc(OC)c1N
InChIInChI=1S/C19H34N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-16-18(25(21,22)23)15-14-17(24-2)19(16)20/h14-15H,3-13,20H2,1-2H3,(H2,21,22,23)
InChIKeyZPTVOROSRNBIMT-UHFFFAOYSA-N
MW370.56 g/mol
LogP4.39
Rot. Bonds13

About 3-amino-2-dodecyl-4-methoxybenzenesulfonamide

3-amino-2-dodecyl-4-methoxybenzenesulfonamide (PubChem CID 174507939) has the molecular formula C19H34N2O3S and a molecular weight of 370.56 g/mol. Its IUPAC name is 3-amino-2-dodecyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-dodecyl-4-methoxybenzenesulfonamide
PubChem CID174507939
Molecular FormulaC19H34N2O3S
Molecular Weight370.56 g/mol
Exact Mass370.23
IUPAC Name3-amino-2-dodecyl-4-methoxybenzenesulfonamide
SMILESCCCCCCCCCCCCc1c(S(N)(=O)=O)ccc(OC)c1N
InChIInChI=1S/C19H34N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-16-18(25(21,22)23)15-14-17(24-2)19(16)20/h14-15H,3-13,20H2,1-2H3,(H2,21,22,23)
InChIKeyZPTVOROSRNBIMT-UHFFFAOYSA-N
XLogP4.39
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.39
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

4-methyl-2-pentyl-3-propylbenzenesulfonamide
CID 69468527
2-methoxy-5-(pentylamino)benzenesulfonamide
CID 143880253
butyl 2,6-dimethoxy-3-sulfamoylbenzoate
CID 65379600
2-hexoxy-5-methylbenzenesulfonamide
CID 43164499
2-nonylbenzenesulfonamide
CID 70447042
2-hexyl-1,3-dimethoxy-4-methylbenzene
CID 524849
4-dodecoxynaphthalene-1-sulfonamide
CID 54239481
4-hexylsulfonyl-3-methoxyaniline
CID 81206633
2,3-dibutyl-4-methoxyaniline
CID 175061118
4-methyl-2-pentoxybenzenesulfonamide
CID 50876723
2-butyl-4-methoxy-3-methylaniline
CID 134964054
3-(3-amino-2-benzyl-4-methoxyphenyl)sulfonyl-2-benzyl-6-methoxyaniline
CID 139981068

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-dodecyl-4-methoxybenzenesulfonamide?
The IUPAC name of 3-amino-2-dodecyl-4-methoxybenzenesulfonamide (CID 174507939) is 3-amino-2-dodecyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-amino-2-dodecyl-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-amino-2-dodecyl-4-methoxybenzenesulfonamide is CCCCCCCCCCCCc1c(S(N)(=O)=O)ccc(OC)c1N.
What is the InChIKey of 3-amino-2-dodecyl-4-methoxybenzenesulfonamide?
The InChIKey is ZPTVOROSRNBIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-16-18(25(21,22)23)15-14-17(24-2)19(16)20/h14-15H,3-13,20H2,1-2H3,(H2,21,22,23).
What are the key properties of 3-amino-2-dodecyl-4-methoxybenzenesulfonamide?
3-amino-2-dodecyl-4-methoxybenzenesulfonamide has a molecular weight of 370.56 g/mol, XLogP of 4.39, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-dodecyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 174507939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).