4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide

C14H22N2O4S — CID 81440815

IUPAC4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(CCO)C2CCCC2)ccc1N
InChIInChI=1S/C14H22N2O4S/c1-20-14-10-12(6-7-13(14)15)21(18,19)16(8-9-17)11-4-2-3-5-11/h6-7,10-11,17H,2-5,8-9,15H2,1H3
InChIKeyNHVNSRZYOWWQHB-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.20
Rot. Bonds6

About 4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide

4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide (PubChem CID 81440815) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
PubChem CID81440815
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(CCO)C2CCCC2)ccc1N
InChIInChI=1S/C14H22N2O4S/c1-20-14-10-12(6-7-13(14)15)21(18,19)16(8-9-17)11-4-2-3-5-11/h6-7,10-11,17H,2-5,8-9,15H2,1H3
InChIKeyNHVNSRZYOWWQHB-UHFFFAOYSA-N
XLogP1.20
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide (CID 81440815) is 4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)N(CCO)C2CCCC2)ccc1N.
What is the InChIKey of 4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide?
The InChIKey is NHVNSRZYOWWQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-20-14-10-12(6-7-13(14)15)21(18,19)16(8-9-17)11-4-2-3-5-11/h6-7,10-11,17H,2-5,8-9,15H2,1H3.
What are the key properties of 4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide?
4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 81440815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).