4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzenesulfonamide

C14H16N2O3S2 — CID 82901760

IUPAC4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(Sc2ccc(OC)cc2)c1
InChIInChI=1S/C14H16N2O3S2/c1-16-21(17,18)12-7-8-13(15)14(9-12)20-11-5-3-10(19-2)4-6-11/h3-9,16H,15H2,1-2H3
InChIKeyGNBZYWSYGPFCLA-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.34
Rot. Bonds5

About 4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzenesulfonamide

4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzenesulfonamide (PubChem CID 82901760) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzenesulfonamide
PubChem CID82901760
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(Sc2ccc(OC)cc2)c1
InChIInChI=1S/C14H16N2O3S2/c1-16-21(17,18)12-7-8-13(15)14(9-12)20-11-5-3-10(19-2)4-6-11/h3-9,16H,15H2,1-2H3
InChIKeyGNBZYWSYGPFCLA-UHFFFAOYSA-N
XLogP2.34
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
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-methoxyphenyl)sulfanyl-N-methylbenzamide
CID 63357504
4-amino-N-methyl-3-propan-2-ylsulfanylbenzenesulfonamide
CID 82901190
4-amino-N-ethyl-3-(4-fluorophenyl)sulfanylbenzenesulfonamide
CID 82901758
4-amino-N-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)benzenesulfonamide
CID 82900761
4-amino-3-(3-methoxyanilino)-N-methylbenzenesulfonamide
CID 82899659
4-(methanesulfonamido)-3-(4-methoxyphenyl)sulfanylbenzenesulfonamide
CID 19594478
4-amino-3-(2-hydroxyethylsulfanyl)-N-methylbenzenesulfonamide
CID 82901119
4-amino-3-[(5-bromo-2-pyridinyl)sulfanyl]-N-methylbenzenesulfonamide
CID 82900982
4-amino-3-cyclohexylsulfanyl-N-methylbenzenesulfonamide
CID 82901051
4-amino-3-(4-tert-butylphenyl)sulfanylbenzenesulfonic acid
CID 124926997
4-amino-3-(4-hydroxybutan-2-ylsulfanyl)-N-methylbenzenesulfonamide
CID 82901625
1-amino-4-methoxy-2-sulfosulfanylbenzene
CID 130155226

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzenesulfonamide (CID 82901760) is 4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(Sc2ccc(OC)cc2)c1.
What is the InChIKey of 4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzenesulfonamide?
The InChIKey is GNBZYWSYGPFCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-16-21(17,18)12-7-8-13(15)14(9-12)20-11-5-3-10(19-2)4-6-11/h3-9,16H,15H2,1-2H3.
What are the key properties of 4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzenesulfonamide?
4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzenesulfonamide has a molecular weight of 324.43 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 82901760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).