2-amino-N-cycloheptylbenzenesulfonamide

C13H20N2O2S — CID 28590104

IUPAC2-amino-N-cycloheptylbenzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C13H20N2O2S/c14-12-9-5-6-10-13(12)18(16,17)15-11-7-3-1-2-4-8-11/h5-6,9-11,15H,1-4,7-8,14H2
InChIKeyWOCQGRYLOQGEDB-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.27
Rot. Bonds3

About 2-amino-N-cycloheptylbenzenesulfonamide

2-amino-N-cycloheptylbenzenesulfonamide (PubChem CID 28590104) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-amino-N-cycloheptylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-cycloheptylbenzenesulfonamide
PubChem CID28590104
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-amino-N-cycloheptylbenzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C13H20N2O2S/c14-12-9-5-6-10-13(12)18(16,17)15-11-7-3-1-2-4-8-11/h5-6,9-11,15H,1-4,7-8,14H2
InChIKeyWOCQGRYLOQGEDB-UHFFFAOYSA-N
XLogP2.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-cyclobutylbenzenesulfonamide
CID 62414720
4-[(2-aminophenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 61125880
N-cyclohexyl-2-[[2-(cyclohexylsulfamoyl)phenyl]diselanyl]benzenesulfonamide
CID 10908359
N-cyclohexylnaphthalene-1-sulfonamide
CID 3812052
2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide
CID 43454674
2-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
CID 62304248
2-amino-N-(1-benzylpiperidin-1-ium-4-yl)benzenesulfonamide
CID 7085182
2-amino-N-cyclobutyl-4-methylbenzenesulfonamide
CID 62414526
2-amino-4-chloro-N-cyclobutylbenzenesulfonamide
CID 62415700
N-cyclohexyl-2-(propylamino)benzenesulfonamide
CID 62149807
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 104859269

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cycloheptylbenzenesulfonamide?
The IUPAC name of 2-amino-N-cycloheptylbenzenesulfonamide (CID 28590104) is 2-amino-N-cycloheptylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-cycloheptylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-cycloheptylbenzenesulfonamide is Nc1ccccc1S(=O)(=O)NC1CCCCCC1.
What is the InChIKey of 2-amino-N-cycloheptylbenzenesulfonamide?
The InChIKey is WOCQGRYLOQGEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c14-12-9-5-6-10-13(12)18(16,17)15-11-7-3-1-2-4-8-11/h5-6,9-11,15H,1-4,7-8,14H2.
What are the key properties of 2-amino-N-cycloheptylbenzenesulfonamide?
2-amino-N-cycloheptylbenzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cycloheptylbenzenesulfonamide is sourced from PubChem (CID 28590104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).