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

C16H19N3O5S2 — CID 1306752

IUPACN-[4-[[3-[methyl(methylsulfonyl)amino]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1
InChIInChI=1S/C16H19N3O5S2/c1-12(20)17-13-7-9-16(10-8-13)26(23,24)18-14-5-4-6-15(11-14)19(2)25(3,21)22/h4-11,18H,1-3H3,(H,17,20)
InChIKeyROTMOIMCSDNSRF-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.84
Rot. Bonds6

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

N-[4-[[3-[methyl(methylsulfonyl)amino]phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 1306752) has the molecular formula C16H19N3O5S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[4-[[3-[methyl(methylsulfonyl)amino]phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-[methyl(methylsulfonyl)amino]phenyl]sulfamoyl]phenyl]acetamide
PubChem CID1306752
Molecular FormulaC16H19N3O5S2
Molecular Weight397.48 g/mol
Exact Mass397.08
IUPAC NameN-[4-[[3-[methyl(methylsulfonyl)amino]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1
InChIInChI=1S/C16H19N3O5S2/c1-12(20)17-13-7-9-16(10-8-13)26(23,24)18-14-5-4-6-15(11-14)19(2)25(3,21)22/h4-11,18H,1-3H3,(H,17,20)
InChIKeyROTMOIMCSDNSRF-UHFFFAOYSA-N
XLogP1.84
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[3-[methyl(methylsulfonyl)amino]phenyl]sulfamoyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[4-(N-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986157
N-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 977789
N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 1026291
3-[(4-acetamidophenyl)sulfonylamino]-N-methylbenzamide
CID 31580637
4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 110676906
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
N-[3-(dimethylamino)phenyl]-4-(methylamino)benzenesulfonamide
CID 115378257
N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46762833
N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide
CID 3874122
N-[4-[4-[(3-methylphenyl)sulfamoyl]phenoxy]phenyl]acetamide
CID 20705319
2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 56920914
N-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986001

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[methyl(methylsulfonyl)amino]phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-[methyl(methylsulfonyl)amino]phenyl]sulfamoyl]phenyl]acetamide (CID 1306752) is N-[4-[[3-[methyl(methylsulfonyl)amino]phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-[methyl(methylsulfonyl)amino]phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-[methyl(methylsulfonyl)amino]phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1.
What is the InChIKey of N-[4-[[3-[methyl(methylsulfonyl)amino]phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is ROTMOIMCSDNSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S2/c1-12(20)17-13-7-9-16(10-8-13)26(23,24)18-14-5-4-6-15(11-14)19(2)25(3,21)22/h4-11,18H,1-3H3,(H,17,20).
What are the key properties of N-[4-[[3-[methyl(methylsulfonyl)amino]phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[3-[methyl(methylsulfonyl)amino]phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[methyl(methylsulfonyl)amino]phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1306752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).