N-[2-(cycloheptylamino)ethyl]benzenesulfonamide

C15H24N2O2S — CID 78977968

IUPACN-[2-(cycloheptylamino)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNC1CCCCCC1)c1ccccc1
InChIInChI=1S/C15H24N2O2S/c18-20(19,15-10-6-3-7-11-15)17-13-12-16-14-8-4-1-2-5-9-14/h3,6-7,10-11,14,16-17H,1-2,4-5,8-9,12-13H2
InChIKeyDNGBSELIRFGRGF-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.28
Rot. Bonds6

About N-[2-(cycloheptylamino)ethyl]benzenesulfonamide

N-[2-(cycloheptylamino)ethyl]benzenesulfonamide (PubChem CID 78977968) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]benzenesulfonamide
PubChem CID78977968
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[2-(cycloheptylamino)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNC1CCCCCC1)c1ccccc1
InChIInChI=1S/C15H24N2O2S/c18-20(19,15-10-6-3-7-11-15)17-13-12-16-14-8-4-1-2-5-9-14/h3,6-7,10-11,14,16-17H,1-2,4-5,8-9,12-13H2
InChIKeyDNGBSELIRFGRGF-UHFFFAOYSA-N
XLogP2.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 119987331
3-(benzenesulfonamido)-N-cyclohexylpropanamide
CID 17225810
N-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride
CID 119987153
N-(2-cyclopentyloxyethyl)benzenesulfonamide
CID 61060137
3-[2-(cycloheptylamino)ethylsulfamoyl]-N,N-dimethylbenzamide
CID 119987203
4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide
CID 1429121
N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-fluorobenzenesulfonamide
CID 139937499
N-[4-[2-(cyclooctylamino)ethylamino]butyl]naphthalene-2-sulfonamide
CID 139937805
N-[2-(cycloheptylamino)ethyl]-4-(2-ethoxyethoxy)benzenesulfonamide;hydrochloride
CID 119987301
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
N-[2-(cycloheptylamino)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 119987178
N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-methoxybenzenesulfonamide
CID 139937566

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]benzenesulfonamide (CID 78977968) is N-[2-(cycloheptylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]benzenesulfonamide is O=S(=O)(NCCNC1CCCCCC1)c1ccccc1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]benzenesulfonamide?
The InChIKey is DNGBSELIRFGRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c18-20(19,15-10-6-3-7-11-15)17-13-12-16-14-8-4-1-2-5-9-14/h3,6-7,10-11,14,16-17H,1-2,4-5,8-9,12-13H2.
What are the key properties of N-[2-(cycloheptylamino)ethyl]benzenesulfonamide?
N-[2-(cycloheptylamino)ethyl]benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 78977968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).