2-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzenesulfonamide

C13H20N2O4S — CID 106119187

IUPAC2-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCC(O)C2)c(N)c1
InChIInChI=1S/C13H20N2O4S/c1-19-11-4-5-13(12(14)7-11)20(17,18)15-8-9-2-3-10(16)6-9/h4-5,7,9-10,15-16H,2-3,6,8,14H2,1H3
InChIKeyLCDNZMUXKSISIH-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.72
Rot. Bonds5

About 2-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzenesulfonamide

2-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzenesulfonamide (PubChem CID 106119187) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzenesulfonamide
PubChem CID106119187
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCC(O)C2)c(N)c1
InChIInChI=1S/C13H20N2O4S/c1-19-11-4-5-13(12(14)7-11)20(17,18)15-8-9-2-3-10(16)6-9/h4-5,7,9-10,15-16H,2-3,6,8,14H2,1H3
InChIKeyLCDNZMUXKSISIH-UHFFFAOYSA-N
XLogP0.72
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol
CID 106119533
2-amino-4-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 115597756
2-amino-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270335
2-amino-N-(4-hydroxycyclohexyl)-4-methoxybenzenesulfonamide
CID 29037342
N-[(3-hydroxycyclobutyl)methyl]-4-methoxy-2-nitrobenzenesulfonamide
CID 66007171
3-amino-2,4-dichloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106119157
2-amino-N-[(3-hydroxycyclopentyl)methyl]-5-methoxybenzamide
CID 106118755
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 104859262
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 62975887
2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 43345862
3-amino-2-bromo-5-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106119168
2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide
CID 115454045

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 2-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzenesulfonamide (CID 106119187) is 2-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 2-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCC(O)C2)c(N)c1.
What is the InChIKey of 2-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzenesulfonamide?
The InChIKey is LCDNZMUXKSISIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-19-11-4-5-13(12(14)7-11)20(17,18)15-8-9-2-3-10(16)6-9/h4-5,7,9-10,15-16H,2-3,6,8,14H2,1H3.
What are the key properties of 2-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzenesulfonamide?
2-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzenesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 106119187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).