3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide

C15H24N2O2S — CID 43258911

IUPAC3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCCCCC2)cc1N
InChIInChI=1S/C15H24N2O2S/c1-2-12-9-10-14(11-15(12)16)20(18,19)17-13-7-5-3-4-6-8-13/h9-11,13,17H,2-8,16H2,1H3
InChIKeyVRFHLQKXPRABTO-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.83
Rot. Bonds4

About 3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide

3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide (PubChem CID 43258911) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide
PubChem CID43258911
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCCCCC2)cc1N
InChIInChI=1S/C15H24N2O2S/c1-2-12-9-10-14(11-15(12)16)20(18,19)17-13-7-5-3-4-6-8-13/h9-11,13,17H,2-8,16H2,1H3
InChIKeyVRFHLQKXPRABTO-UHFFFAOYSA-N
XLogP2.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.83
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

3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 43257259
3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213563
3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide
CID 43105855
5-amino-N-cyclooctyl-2-ethylbenzenesulfonamide
CID 43256436
3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide
CID 43370862
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
4-amino-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928
3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257349
3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43256978
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide
CID 28716664

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide (CID 43258911) is 3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NC2CCCCCC2)cc1N.
What is the InChIKey of 3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide?
The InChIKey is VRFHLQKXPRABTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-12-9-10-14(11-15(12)16)20(18,19)17-13-7-5-3-4-6-8-13/h9-11,13,17H,2-8,16H2,1H3.
What are the key properties of 3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide?
3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide is sourced from PubChem (CID 43258911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).