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

C17H21N3O5S2 — CID 1006597

IUPAC4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCN(c1ccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1)S(C)(=O)=O
InChIInChI=1S/C17H21N3O5S2/c1-19(26(3,22)23)15-10-8-13(9-11-15)17(21)18-14-6-5-7-16(12-14)20(2)27(4,24)25/h5-12H,1-4H3,(H,18,21)
InChIKeyQSPJHNZYXSOANX-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.73
Rot. Bonds6

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

4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide (PubChem CID 1006597) has the molecular formula C17H21N3O5S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
PubChem CID1006597
Molecular FormulaC17H21N3O5S2
Molecular Weight411.51 g/mol
Exact Mass411.09
IUPAC Name4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCN(c1ccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1)S(C)(=O)=O
InChIInChI=1S/C17H21N3O5S2/c1-19(26(3,22)23)15-10-8-13(9-11-15)17(21)18-14-6-5-7-16(12-14)20(2)27(4,24)25/h5-12H,1-4H3,(H,18,21)
InChIKeyQSPJHNZYXSOANX-UHFFFAOYSA-N
XLogP1.73
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1319509
N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-morpholin-4-ylbenzamide
CID 21173939
3-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 100624777
4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-nitrobenzamide
CID 126154265
N-(4-bromophenyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 1210609
N-(4-fluorophenyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 900640
2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 56920914
4-chloro-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(phenylsulfamoyl)benzamide
CID 1264396
N-(3-acetylphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92664202
1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea
CID 2224615
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-methylsulfanylbenzamide
CID 1252494
N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
CID 2193952

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide (CID 1006597) is 4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The canonical SMILES for 4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide is CN(c1ccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1)S(C)(=O)=O.
What is the InChIKey of 4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The InChIKey is QSPJHNZYXSOANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S2/c1-19(26(3,22)23)15-10-8-13(9-11-15)17(21)18-14-6-5-7-16(12-14)20(2)27(4,24)25/h5-12H,1-4H3,(H,18,21).
What are the key properties of 4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide has a molecular weight of 411.51 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide is sourced from PubChem (CID 1006597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).