2-(2-aminophenyl)sulfanyl-N-(3-hydroxybutyl)ethanesulfonamide

C12H20N2O3S2 — CID 64927625

IUPAC2-(2-aminophenyl)sulfanyl-N-(3-hydroxybutyl)ethanesulfonamide
SMILESCC(O)CCNS(=O)(=O)CCSc1ccccc1N
InChIInChI=1S/C12H20N2O3S2/c1-10(15)6-7-14-19(16,17)9-8-18-12-5-3-2-4-11(12)13/h2-5,10,14-15H,6-9,13H2,1H3
InChIKeyFSLCZKFLPBXBNQ-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.05
Rot. Bonds8

About 2-(2-aminophenyl)sulfanyl-N-(3-hydroxybutyl)ethanesulfonamide

2-(2-aminophenyl)sulfanyl-N-(3-hydroxybutyl)ethanesulfonamide (PubChem CID 64927625) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-(3-hydroxybutyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-(3-hydroxybutyl)ethanesulfonamide
PubChem CID64927625
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name2-(2-aminophenyl)sulfanyl-N-(3-hydroxybutyl)ethanesulfonamide
SMILESCC(O)CCNS(=O)(=O)CCSc1ccccc1N
InChIInChI=1S/C12H20N2O3S2/c1-10(15)6-7-14-19(16,17)9-8-18-12-5-3-2-4-11(12)13/h2-5,10,14-15H,6-9,13H2,1H3
InChIKeyFSLCZKFLPBXBNQ-UHFFFAOYSA-N
XLogP1.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.05
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

2-[2-(2-aminophenyl)sulfanylethylsulfonylamino]ethylurea
CID 83116775
2-(2-aminophenyl)sulfanyl-N-(2-methylprop-2-enyl)ethanesulfonamide
CID 114615068
2-(2-aminophenyl)sulfanyl-N-(3-methylbut-2-enyl)ethanesulfonamide
CID 106180578
2-(2-aminophenyl)sulfanyl-N-(3,3-dimethylbutan-2-yl)ethanesulfonamide
CID 104827317
2-amino-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929991
2-(2-aminophenyl)sulfanyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanesulfonamide
CID 106391968
N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide
CID 80686188
N-(3-hydroxybutyl)propane-1-sulfonamide
CID 64723570
2-(2-aminophenyl)sulfanyl-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 82872921
N-(3-hydroxybutyl)-2-methylsulfonylethanesulfonamide
CID 64911861
2-(2-aminophenyl)sulfanyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethanesulfonamide
CID 106022293
2-(2-aminophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
CID 106208337

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(3-hydroxybutyl)ethanesulfonamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(3-hydroxybutyl)ethanesulfonamide (CID 64927625) is 2-(2-aminophenyl)sulfanyl-N-(3-hydroxybutyl)ethanesulfonamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-(3-hydroxybutyl)ethanesulfonamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-(3-hydroxybutyl)ethanesulfonamide is CC(O)CCNS(=O)(=O)CCSc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-(3-hydroxybutyl)ethanesulfonamide?
The InChIKey is FSLCZKFLPBXBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-10(15)6-7-14-19(16,17)9-8-18-12-5-3-2-4-11(12)13/h2-5,10,14-15H,6-9,13H2,1H3.
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-(3-hydroxybutyl)ethanesulfonamide?
2-(2-aminophenyl)sulfanyl-N-(3-hydroxybutyl)ethanesulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.05, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-(3-hydroxybutyl)ethanesulfonamide is sourced from PubChem (CID 64927625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).