4-(1-aminoethyl)-N-pentylbenzenesulfonamide

C13H22N2O2S — CID 43095770

IUPAC4-(1-aminoethyl)-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C13H22N2O2S/c1-3-4-5-10-15-18(16,17)13-8-6-12(7-9-13)11(2)14/h6-9,11,15H,3-5,10,14H2,1-2H3
InChIKeyCFDAUVLHTWICGS-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.17
Rot. Bonds7

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

4-(1-aminoethyl)-N-pentylbenzenesulfonamide (PubChem CID 43095770) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-pentylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-pentylbenzenesulfonamide
PubChem CID43095770
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name4-(1-aminoethyl)-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C13H22N2O2S/c1-3-4-5-10-15-18(16,17)13-8-6-12(7-9-13)11(2)14/h6-9,11,15H,3-5,10,14H2,1-2H3
InChIKeyCFDAUVLHTWICGS-UHFFFAOYSA-N
XLogP2.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.17
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

3-(1-aminoethyl)-N-octylbenzenesulfonamide
CID 115569030
4-(1-aminoethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63959615
4-(1-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546293
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
N-tridecylbenzenesulfonamide
CID 3514704
methyl 3-[[4-(1-aminoethyl)phenyl]sulfonylamino]propanoate
CID 61295392
N-pentyl-4-phenylbenzenesulfonamide
CID 3666440
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
ethyl 2-[[4-(1-aminoethyl)phenyl]sulfonylamino]acetate
CID 54921028
4-(2-chloroacetyl)-N-pentylbenzenesulfonamide
CID 82165572
4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 43097507

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-pentylbenzenesulfonamide?
The IUPAC name of 4-(1-aminoethyl)-N-pentylbenzenesulfonamide (CID 43095770) is 4-(1-aminoethyl)-N-pentylbenzenesulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-pentylbenzenesulfonamide?
The canonical SMILES for 4-(1-aminoethyl)-N-pentylbenzenesulfonamide is CCCCCNS(=O)(=O)c1ccc(C(C)N)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-pentylbenzenesulfonamide?
The InChIKey is CFDAUVLHTWICGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-3-4-5-10-15-18(16,17)13-8-6-12(7-9-13)11(2)14/h6-9,11,15H,3-5,10,14H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-N-pentylbenzenesulfonamide?
4-(1-aminoethyl)-N-pentylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-pentylbenzenesulfonamide is sourced from PubChem (CID 43095770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).