N-ethyl-2-phenylsulfanyl-5-sulfamoylbenzamide

C15H16N2O3S2 — CID 46887935

IUPACN-ethyl-2-phenylsulfanyl-5-sulfamoylbenzamide
SMILESCCNC(=O)c1cc(S(N)(=O)=O)ccc1Sc1ccccc1
InChIInChI=1S/C15H16N2O3S2/c1-2-17-15(18)13-10-12(22(16,19)20)8-9-14(13)21-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyFNYVAHRKYCCQJY-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.23
Rot. Bonds5

About N-ethyl-2-phenylsulfanyl-5-sulfamoylbenzamide

N-ethyl-2-phenylsulfanyl-5-sulfamoylbenzamide (PubChem CID 46887935) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-ethyl-2-phenylsulfanyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-ethyl-2-phenylsulfanyl-5-sulfamoylbenzamide
PubChem CID46887935
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC NameN-ethyl-2-phenylsulfanyl-5-sulfamoylbenzamide
SMILESCCNC(=O)c1cc(S(N)(=O)=O)ccc1Sc1ccccc1
InChIInChI=1S/C15H16N2O3S2/c1-2-17-15(18)13-10-12(22(16,19)20)8-9-14(13)21-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyFNYVAHRKYCCQJY-UHFFFAOYSA-N
XLogP2.23
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenylsulfanyl-5-sulfamoylbenzamide?
The IUPAC name of N-ethyl-2-phenylsulfanyl-5-sulfamoylbenzamide (CID 46887935) is N-ethyl-2-phenylsulfanyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-ethyl-2-phenylsulfanyl-5-sulfamoylbenzamide?
The canonical SMILES for N-ethyl-2-phenylsulfanyl-5-sulfamoylbenzamide is CCNC(=O)c1cc(S(N)(=O)=O)ccc1Sc1ccccc1.
What is the InChIKey of N-ethyl-2-phenylsulfanyl-5-sulfamoylbenzamide?
The InChIKey is FNYVAHRKYCCQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-2-17-15(18)13-10-12(22(16,19)20)8-9-14(13)21-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-ethyl-2-phenylsulfanyl-5-sulfamoylbenzamide?
N-ethyl-2-phenylsulfanyl-5-sulfamoylbenzamide has a molecular weight of 336.44 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phenylsulfanyl-5-sulfamoylbenzamide is sourced from PubChem (CID 46887935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).