3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide

C14H22N2O3S — CID 43540778

IUPAC3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C14H22N2O3S/c1-3-16(11-6-4-5-7-11)20(17,18)12-8-9-14(19-2)13(15)10-12/h8-11H,3-7,15H2,1-2H3
InChIKeyUUFNBICHHQLBSP-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.23
Rot. Bonds5

About 3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide

3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide (PubChem CID 43540778) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide
PubChem CID43540778
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C14H22N2O3S/c1-3-16(11-6-4-5-7-11)20(17,18)12-8-9-14(19-2)13(15)10-12/h8-11H,3-7,15H2,1-2H3
InChIKeyUUFNBICHHQLBSP-UHFFFAOYSA-N
XLogP2.23
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43263870
3-amino-4-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43096949
4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81440815
N-cyclopropyl-N-ethyl-4-methoxy-3-nitrobenzenesulfonamide
CID 24679110
3-amino-N-cyclopropyl-N-ethyl-4-hydroxybenzenesulfonamide
CID 43263873
5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methoxybenzenesulfonamide
CID 81396830
5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide
CID 897007
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 7414153
N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide
CID 87024719
3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 43610677
3-amino-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 28517555
3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide
CID 43105855

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide?
The IUPAC name of 3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide (CID 43540778) is 3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide is CCN(C1CCCC1)S(=O)(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of 3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide?
The InChIKey is UUFNBICHHQLBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-16(11-6-4-5-7-11)20(17,18)12-8-9-14(19-2)13(15)10-12/h8-11H,3-7,15H2,1-2H3.
What are the key properties of 3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide?
3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 43540778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).