4-amino-3-phenylsulfanylbenzenesulfonamide

C12H12N2O2S2 — CID 82899045

IUPAC4-amino-3-phenylsulfanylbenzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1Sc1ccccc1
InChIInChI=1S/C12H12N2O2S2/c13-11-7-6-10(18(14,15)16)8-12(11)17-9-4-2-1-3-5-9/h1-8H,13H2,(H2,14,15,16)
InChIKeyUNJOGQWZVHIKLO-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.07
Rot. Bonds3

About 4-amino-3-phenylsulfanylbenzenesulfonamide

4-amino-3-phenylsulfanylbenzenesulfonamide (PubChem CID 82899045) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-amino-3-phenylsulfanylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-phenylsulfanylbenzenesulfonamide
PubChem CID82899045
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Name4-amino-3-phenylsulfanylbenzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1Sc1ccccc1
InChIInChI=1S/C12H12N2O2S2/c13-11-7-6-10(18(14,15)16)8-12(11)17-9-4-2-1-3-5-9/h1-8H,13H2,(H2,14,15,16)
InChIKeyUNJOGQWZVHIKLO-UHFFFAOYSA-N
XLogP2.07
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenylsulfanyl-5-sulfamoylbenzoic acid
CID 43217535
4-amino-6-phenylsulfanylbenzene-1,3-disulfonamide
CID 121003354
4-amino-3-(2-methylfuran-3-yl)sulfanylbenzenesulfonamide
CID 114000637
3-(3,4-diaminophenyl)sulfanylbenzenesulfonamide
CID 70370207
4-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)benzenesulfonamide
CID 82899611
4-(4-aminophenyl)-2-phenylsulfanylaniline
CID 68786659
4-amino-3-propylsulfanylbenzenesulfonamide
CID 82899949
3-amino-4-(3-methoxyphenyl)sulfanylbenzenesulfonamide
CID 43331004
4-amino-3-(1-methylimidazol-2-yl)sulfanylbenzenesulfonamide
CID 70273184
4-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide
CID 82898337
4-amino-3-(4-tert-butylphenyl)sulfanylbenzenesulfonic acid
CID 124926997
4-amino-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide
CID 82899801

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-phenylsulfanylbenzenesulfonamide?
The IUPAC name of 4-amino-3-phenylsulfanylbenzenesulfonamide (CID 82899045) is 4-amino-3-phenylsulfanylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-phenylsulfanylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-phenylsulfanylbenzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1Sc1ccccc1.
What is the InChIKey of 4-amino-3-phenylsulfanylbenzenesulfonamide?
The InChIKey is UNJOGQWZVHIKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c13-11-7-6-10(18(14,15)16)8-12(11)17-9-4-2-1-3-5-9/h1-8H,13H2,(H2,14,15,16).
What are the key properties of 4-amino-3-phenylsulfanylbenzenesulfonamide?
4-amino-3-phenylsulfanylbenzenesulfonamide has a molecular weight of 280.37 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-phenylsulfanylbenzenesulfonamide is sourced from PubChem (CID 82899045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).