3-[(heptylamino)methyl]benzenesulfonamide

C14H24N2O2S — CID 60859949

IUPAC3-[(heptylamino)methyl]benzenesulfonamide
SMILESCCCCCCCNCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H24N2O2S/c1-2-3-4-5-6-10-16-12-13-8-7-9-14(11-13)19(15,17)18/h7-9,11,16H,2-6,10,12H2,1H3,(H2,15,17,18)
InChIKeyFHMLIKBJZUOBII-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.39
Rot. Bonds9

About 3-[(heptylamino)methyl]benzenesulfonamide

3-[(heptylamino)methyl]benzenesulfonamide (PubChem CID 60859949) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 3-[(heptylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[(heptylamino)methyl]benzenesulfonamide
PubChem CID60859949
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name3-[(heptylamino)methyl]benzenesulfonamide
SMILESCCCCCCCNCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H24N2O2S/c1-2-3-4-5-6-10-16-12-13-8-7-9-14(11-13)19(15,17)18/h7-9,11,16H,2-6,10,12H2,1H3,(H2,15,17,18)
InChIKeyFHMLIKBJZUOBII-UHFFFAOYSA-N
XLogP2.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(heptylamino)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(octylamino)methyl]benzenesulfonamide
CID 60860115
N-[[3-[(octylamino)methyl]phenyl]methyl]octan-1-amine
CID 10784784
3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 60860114
3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide
CID 60858657
3-[(ethylsulfonylamino)methyl]benzenesulfonamide
CID 47337146
3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]benzenesulfonamide
CID 66415356
3-[(pentan-3-ylamino)methyl]benzenesulfonamide
CID 54927067
3-[[(4-bromo-3-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 66474654
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
4-[(heptadecylamino)methyl]benzenesulfonic acid
CID 23547340
N-[(3-ethoxyphenyl)methyl]heptan-1-amine
CID 4717571
N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860

Frequently Asked Questions

What is the IUPAC name of 3-[(heptylamino)methyl]benzenesulfonamide?
The IUPAC name of 3-[(heptylamino)methyl]benzenesulfonamide (CID 60859949) is 3-[(heptylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 3-[(heptylamino)methyl]benzenesulfonamide?
The canonical SMILES for 3-[(heptylamino)methyl]benzenesulfonamide is CCCCCCCNCc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[(heptylamino)methyl]benzenesulfonamide?
The InChIKey is FHMLIKBJZUOBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-2-3-4-5-6-10-16-12-13-8-7-9-14(11-13)19(15,17)18/h7-9,11,16H,2-6,10,12H2,1H3,(H2,15,17,18).
What are the key properties of 3-[(heptylamino)methyl]benzenesulfonamide?
3-[(heptylamino)methyl]benzenesulfonamide has a molecular weight of 284.42 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(heptylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 60859949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).