4-amino-N-ethyl-3-(3-hydroxypropylsulfanyl)benzenesulfonamide

C11H18N2O3S2 — CID 82901626

IUPAC4-amino-N-ethyl-3-(3-hydroxypropylsulfanyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(SCCCO)c1
InChIInChI=1S/C11H18N2O3S2/c1-2-13-18(15,16)9-4-5-10(12)11(8-9)17-7-3-6-14/h4-5,8,13-14H,2-3,6-7,12H2,1H3
InChIKeyZTXPPBNLEDNVTJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.04
Rot. Bonds7

About 4-amino-N-ethyl-3-(3-hydroxypropylsulfanyl)benzenesulfonamide

4-amino-N-ethyl-3-(3-hydroxypropylsulfanyl)benzenesulfonamide (PubChem CID 82901626) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(3-hydroxypropylsulfanyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(3-hydroxypropylsulfanyl)benzenesulfonamide
PubChem CID82901626
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC Name4-amino-N-ethyl-3-(3-hydroxypropylsulfanyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(SCCCO)c1
InChIInChI=1S/C11H18N2O3S2/c1-2-13-18(15,16)9-4-5-10(12)11(8-9)17-7-3-6-14/h4-5,8,13-14H,2-3,6-7,12H2,1H3
InChIKeyZTXPPBNLEDNVTJ-UHFFFAOYSA-N
XLogP1.04
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-3-(3-hydroxy-2-methylpropyl)sulfanylbenzenesulfonamide
CID 82901263
4-amino-3-(3-hydroxypropylsulfanyl)-N,N-dimethylbenzenesulfonamide
CID 82900541
4-amino-3-(2-hydroxyethylsulfanyl)-N-methylbenzenesulfonamide
CID 82901119
4-amino-N-ethyl-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide
CID 82901521
4-amino-N-ethyl-3-hydroxybenzenesulfonamide
CID 82901390
4-amino-N-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylbenzenesulfonamide
CID 82902678
3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride
CID 53432788
4-amino-N-ethyl-3-(4-fluorophenyl)sulfanylbenzenesulfonamide
CID 82901758
2-amino-5-(ethylsulfamoyl)benzamide
CID 82478029
4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide
CID 82902466
4-amino-3-propylsulfanylbenzenesulfonamide
CID 82899949
4-amino-3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-ethylbenzenesulfonamide
CID 107845638

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(3-hydroxypropylsulfanyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-3-(3-hydroxypropylsulfanyl)benzenesulfonamide (CID 82901626) is 4-amino-N-ethyl-3-(3-hydroxypropylsulfanyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(3-hydroxypropylsulfanyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-3-(3-hydroxypropylsulfanyl)benzenesulfonamide is CCNS(=O)(=O)c1ccc(N)c(SCCCO)c1.
What is the InChIKey of 4-amino-N-ethyl-3-(3-hydroxypropylsulfanyl)benzenesulfonamide?
The InChIKey is ZTXPPBNLEDNVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-2-13-18(15,16)9-4-5-10(12)11(8-9)17-7-3-6-14/h4-5,8,13-14H,2-3,6-7,12H2,1H3.
What are the key properties of 4-amino-N-ethyl-3-(3-hydroxypropylsulfanyl)benzenesulfonamide?
4-amino-N-ethyl-3-(3-hydroxypropylsulfanyl)benzenesulfonamide has a molecular weight of 290.41 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-(3-hydroxypropylsulfanyl)benzenesulfonamide is sourced from PubChem (CID 82901626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).