4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide

C15H24N2O2S — CID 43167801

IUPAC4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-12(16)13-8-10-15(11-9-13)20(18,19)17-14-6-4-2-3-5-7-14/h8-12,14,17H,2-7,16H2,1H3
InChIKeyYTLHFBNVQJMBPY-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.71
Rot. Bonds4

About 4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide

4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide (PubChem CID 43167801) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide
PubChem CID43167801
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-12(16)13-8-10-15(11-9-13)20(18,19)17-14-6-4-2-3-5-7-14/h8-12,14,17H,2-7,16H2,1H3
InChIKeyYTLHFBNVQJMBPY-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-propan-2-ylbenzenesulfonamide
CID 6469335
3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide
CID 43101815
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 859646
4-(1-aminoethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82728733
4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide
CID 43298854
4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
CID 16643216
4-[(1R)-1-amino-2-hydroxyethyl]-N-cyclopropylbenzenesulfonamide
CID 137403957
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide?
The IUPAC name of 4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide (CID 43167801) is 4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide?
The canonical SMILES for 4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide is CC(N)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide?
The InChIKey is YTLHFBNVQJMBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12(16)13-8-10-15(11-9-13)20(18,19)17-14-6-4-2-3-5-7-14/h8-12,14,17H,2-7,16H2,1H3.
What are the key properties of 4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide?
4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide is sourced from PubChem (CID 43167801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).