N-[4-[[3-[methyl(phenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide

C21H21N3O5S2 — CID 4837430

IUPACN-[4-[[3-[methyl(phenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C21H21N3O5S2/c1-16(25)22-17-11-13-20(14-12-17)30(26,27)23-18-7-6-10-21(15-18)31(28,29)24(2)19-8-4-3-5-9-19/h3-15,23H,1-2H3,(H,22,25)
InChIKeyAFUZVENIHFATKJ-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.27
Rot. Bonds7

About N-[4-[[3-[methyl(phenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[3-[methyl(phenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 4837430) has the molecular formula C21H21N3O5S2 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[4-[[3-[methyl(phenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-[methyl(phenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
PubChem CID4837430
Molecular FormulaC21H21N3O5S2
Molecular Weight459.55 g/mol
Exact Mass459.09
IUPAC NameN-[4-[[3-[methyl(phenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C21H21N3O5S2/c1-16(25)22-17-11-13-20(14-12-17)30(26,27)23-18-7-6-10-21(15-18)31(28,29)24(2)19-8-4-3-5-9-19/h3-15,23H,1-2H3,(H,22,25)
InChIKeyAFUZVENIHFATKJ-UHFFFAOYSA-N
XLogP3.27
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[methyl(phenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-[methyl(phenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide (CID 4837430) is N-[4-[[3-[methyl(phenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-[methyl(phenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-[methyl(phenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1.
What is the InChIKey of N-[4-[[3-[methyl(phenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is AFUZVENIHFATKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S2/c1-16(25)22-17-11-13-20(14-12-17)30(26,27)23-18-7-6-10-21(15-18)31(28,29)24(2)19-8-4-3-5-9-19/h3-15,23H,1-2H3,(H,22,25).
What are the key properties of N-[4-[[3-[methyl(phenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[3-[methyl(phenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 459.55 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[methyl(phenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4837430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).