2-amino-4-(4-ethylazepan-1-yl)benzenesulfonamide

C14H23N3O2S — CID 79466454

IUPAC2-amino-4-(4-ethylazepan-1-yl)benzenesulfonamide
SMILESCCC1CCCN(c2ccc(S(N)(=O)=O)c(N)c2)CC1
InChIInChI=1S/C14H23N3O2S/c1-2-11-4-3-8-17(9-7-11)12-5-6-14(13(15)10-12)20(16,18)19/h5-6,10-11H,2-4,7-9,15H2,1H3,(H2,16,18,19)
InChIKeySZTKMUVHCJHEDQ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.93
Rot. Bonds3

About 2-amino-4-(4-ethylazepan-1-yl)benzenesulfonamide

2-amino-4-(4-ethylazepan-1-yl)benzenesulfonamide (PubChem CID 79466454) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-amino-4-(4-ethylazepan-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(4-ethylazepan-1-yl)benzenesulfonamide
PubChem CID79466454
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-amino-4-(4-ethylazepan-1-yl)benzenesulfonamide
SMILESCCC1CCCN(c2ccc(S(N)(=O)=O)c(N)c2)CC1
InChIInChI=1S/C14H23N3O2S/c1-2-11-4-3-8-17(9-7-11)12-5-6-14(13(15)10-12)20(16,18)19/h5-6,10-11H,2-4,7-9,15H2,1H3,(H2,16,18,19)
InChIKeySZTKMUVHCJHEDQ-UHFFFAOYSA-N
XLogP1.93
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(4-methoxypiperidin-1-yl)benzenesulfonamide
CID 79466596
2-amino-4-[4-(trifluoromethyl)piperidin-1-yl]benzenesulfonamide
CID 79466266
1-(3-amino-4-sulfamoylphenyl)piperidine-4-carboxamide
CID 79466325
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]benzenesulfonamide
CID 79467514
2-amino-4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]benzenesulfonamide
CID 107213964
2-amino-4-piperazin-1-ylbenzenesulfonamide
CID 79466445
6-(4-ethylazepan-1-yl)-1-methylindole-2,3-dione
CID 81301421
2-amino-4-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide
CID 79466909
4-ethyl-1-(3-iodo-4-nitrophenyl)azepane
CID 106494505
2-amino-4-(3-ethylpiperidin-1-yl)benzoic acid
CID 104500277
2-amino-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide
CID 79466437
2-amino-4-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 80646144

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-ethylazepan-1-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-(4-ethylazepan-1-yl)benzenesulfonamide (CID 79466454) is 2-amino-4-(4-ethylazepan-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(4-ethylazepan-1-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(4-ethylazepan-1-yl)benzenesulfonamide is CCC1CCCN(c2ccc(S(N)(=O)=O)c(N)c2)CC1.
What is the InChIKey of 2-amino-4-(4-ethylazepan-1-yl)benzenesulfonamide?
The InChIKey is SZTKMUVHCJHEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-11-4-3-8-17(9-7-11)12-5-6-14(13(15)10-12)20(16,18)19/h5-6,10-11H,2-4,7-9,15H2,1H3,(H2,16,18,19).
What are the key properties of 2-amino-4-(4-ethylazepan-1-yl)benzenesulfonamide?
2-amino-4-(4-ethylazepan-1-yl)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-ethylazepan-1-yl)benzenesulfonamide is sourced from PubChem (CID 79466454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).