4-amino-3-(2-hydroxyethylsulfanyl)-N-methylbenzenesulfonamide

C9H14N2O3S2 — CID 82901119

IUPAC4-amino-3-(2-hydroxyethylsulfanyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(SCCO)c1
InChIInChI=1S/C9H14N2O3S2/c1-11-16(13,14)7-2-3-8(10)9(6-7)15-5-4-12/h2-3,6,11-12H,4-5,10H2,1H3
InChIKeyZRYGQHHBILKUBV-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.26
Rot. Bonds5

About 4-amino-3-(2-hydroxyethylsulfanyl)-N-methylbenzenesulfonamide

4-amino-3-(2-hydroxyethylsulfanyl)-N-methylbenzenesulfonamide (PubChem CID 82901119) has the molecular formula C9H14N2O3S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-amino-3-(2-hydroxyethylsulfanyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(2-hydroxyethylsulfanyl)-N-methylbenzenesulfonamide
PubChem CID82901119
Molecular FormulaC9H14N2O3S2
Molecular Weight262.36 g/mol
Exact Mass262.04
IUPAC Name4-amino-3-(2-hydroxyethylsulfanyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(SCCO)c1
InChIInChI=1S/C9H14N2O3S2/c1-11-16(13,14)7-2-3-8(10)9(6-7)15-5-4-12/h2-3,6,11-12H,4-5,10H2,1H3
InChIKeyZRYGQHHBILKUBV-UHFFFAOYSA-N
XLogP0.26
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.26
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

4-amino-3-(4-hydroxybutan-2-ylsulfanyl)-N-methylbenzenesulfonamide
CID 82901625
4-amino-N-ethyl-3-(3-hydroxypropylsulfanyl)benzenesulfonamide
CID 82901626
4-amino-N-methyl-3-propan-2-ylsulfanylbenzenesulfonamide
CID 82901190
4-amino-3-[(2-chlorophenyl)methylsulfanyl]-N-methylbenzenesulfonamide
CID 103288261
4-amino-3-(3-hydroxypropylsulfanyl)-N,N-dimethylbenzenesulfonamide
CID 82900541
4-amino-3-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 82898644
4-amino-3-propylsulfanylbenzenesulfonamide
CID 82899949
4-amino-N-ethyl-3-(3-hydroxy-2-methylpropyl)sulfanylbenzenesulfonamide
CID 82901263
4-amino-3-cyclohexylsulfanyl-N-methylbenzenesulfonamide
CID 82901051
4-amino-3-[(2S)-butan-2-yl]-N-methylbenzenesulfonamide
CID 163446089
3-amino-4-(1,3-dihydroxypropan-2-ylamino)-N-methylbenzenesulfonamide
CID 65310174
3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide
CID 106166710

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-hydroxyethylsulfanyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(2-hydroxyethylsulfanyl)-N-methylbenzenesulfonamide (CID 82901119) is 4-amino-3-(2-hydroxyethylsulfanyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(2-hydroxyethylsulfanyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(2-hydroxyethylsulfanyl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(SCCO)c1.
What is the InChIKey of 4-amino-3-(2-hydroxyethylsulfanyl)-N-methylbenzenesulfonamide?
The InChIKey is ZRYGQHHBILKUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S2/c1-11-16(13,14)7-2-3-8(10)9(6-7)15-5-4-12/h2-3,6,11-12H,4-5,10H2,1H3.
What are the key properties of 4-amino-3-(2-hydroxyethylsulfanyl)-N-methylbenzenesulfonamide?
4-amino-3-(2-hydroxyethylsulfanyl)-N-methylbenzenesulfonamide has a molecular weight of 262.36 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-hydroxyethylsulfanyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 82901119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).