N-[4-(acetylsulfamoyl)phenyl]-2-ethylsulfanylbenzamide

C17H18N2O4S2 — CID 2211711

IUPACN-[4-(acetylsulfamoyl)phenyl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1
InChIInChI=1S/C17H18N2O4S2/c1-3-24-16-7-5-4-6-15(16)17(21)18-13-8-10-14(11-9-13)25(22,23)19-12(2)20/h4-11H,3H2,1-2H3,(H,18,21)(H,19,20)
InChIKeySXGPNCHPNUTKSZ-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.88
Rot. Bonds6

About N-[4-(acetylsulfamoyl)phenyl]-2-ethylsulfanylbenzamide

N-[4-(acetylsulfamoyl)phenyl]-2-ethylsulfanylbenzamide (PubChem CID 2211711) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-2-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-2-ethylsulfanylbenzamide
PubChem CID2211711
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1
InChIInChI=1S/C17H18N2O4S2/c1-3-24-16-7-5-4-6-15(16)17(21)18-13-8-10-14(11-9-13)25(22,23)19-12(2)20/h4-11H,3H2,1-2H3,(H,18,21)(H,19,20)
InChIKeySXGPNCHPNUTKSZ-UHFFFAOYSA-N
XLogP2.88
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2'-Dithiobis-(N-(4-sulfamoylphenyl)-benzamide)
CID 375084
N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
N-[4-(Aminosulfonyl)phenyl]-2-mercaptobenzamide
CID 462919
2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 729977
N-(4-(Aminosulfonyl)phenyl)-4-tert-butylbenzamide
CID 315810
N-[4-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]sulfonylphenyl]-2-[[2-[[4-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]sulfonylphenyl]carbamoyl]phenyl]disulfanyl]benzamide
CID 16129923
2-[methyl(methylsulfonyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1228113
2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzamide
CID 4180608
N-[3-(3-aminophenyl)sulfonylphenyl]-2-[[2-[[3-(3-aminophenyl)sulfonylphenyl]carbamoyl]phenyl]disulfanyl]benzamide
CID 471805
4-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]benzamide
CID 738960
5-methyl-N-[4-(methylsulfamoyl)phenyl]thiophene-3-carboxamide
CID 1247495
N-[4-(acetylsulfamoyl)phenyl]-2-(phenylsulfanyl)acetamide
CID 1321236

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-ethylsulfanylbenzamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-ethylsulfanylbenzamide (CID 2211711) is N-[4-(acetylsulfamoyl)phenyl]-2-ethylsulfanylbenzamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-2-ethylsulfanylbenzamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-2-ethylsulfanylbenzamide is CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-2-ethylsulfanylbenzamide?
The InChIKey is SXGPNCHPNUTKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-3-24-16-7-5-4-6-15(16)17(21)18-13-8-10-14(11-9-13)25(22,23)19-12(2)20/h4-11H,3H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-2-ethylsulfanylbenzamide?
N-[4-(acetylsulfamoyl)phenyl]-2-ethylsulfanylbenzamide has a molecular weight of 378.48 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-2-ethylsulfanylbenzamide is sourced from PubChem (CID 2211711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).